问题：请各位帮忙查一个化合物的物性
类型：求助 (悬赏分:3分)
提问：pzr
等级：▲
版块：有机化学问题(jimuwei,fpcwin1211,netpanda,yjgzfl,Ftian,)
信誉：20%
回复：3
阅读：823
时间：2006-03-14 04:16:14 编辑加入/取消收藏订制/取消短消息举报该贴

C12H13CLO(208.57)

回复人：celan,▲▲▲▲ (化学品成分和结构剖析服务:www.chemnmr.com) 时间：2006-03-14 07:38:22 编辑	1楼
符合C12H13CLO的化合物很多的,应该再具体点,看来pzr朋友提问缺乏点经验啊.

回复人：tangyyer,★★★★★ (有空来逛逛my blog: http://tangyyer.blog.hexun.com) 时间：2006-03-14 08:21:29 编辑

2楼

Entry Name: 1-Phenylcyclopentanecarboxylic acid, 9CI
Chapman & Hall Number: DFC24-H
CAS Registry Number: 77-55-4

Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
Melting Point: Mp 158-159

Aldrich: 14020-1

Derivative: Et ester
Chapman & Hall Number: DFC25-I
Molecular Formula: C14H18O2
Molecular Weight: 218.295
Accurate Mass: 218.13068
Percentage Composition: C 77.03%; H 8.31%; O 14.66%
Boiling Point: Bp9 121

Derivative: Diethylaminoethyl ester
see Caramiphen, HGX11-B
Chapman & Hall Number: DFC26-J

Derivative: Chloride
Chapman & Hall Number: DFC27-K
CAS Registry Number: 17380-62-0
Molecular Formula: C12H13ClO
Molecular Weight: 208.687
Accurate Mass: 208.065492
Percentage Composition: C 69.07%; H 6.28%; Cl 16.99%; O 7.67%
Boiling Point: Bp21.5 149-150?(lit. gives a pressure range)

Derivative: Amide
Chapman & Hall Number: DFC28-L
CAS Registry Number: 5296-89-9
Molecular Formula: C12H15NO
Molecular Weight: 189.257
Accurate Mass: 189.115364
Percentage Composition: C 76.16%; H 7.99%; N 7.40%; O 8.45%
Use/Importance: Cryst. (C6H6)
Melting Point: Mp 157-158
RTECS Accession Number: GY2595000
Rare Chemicals Library: S94997-3

Derivative: Nitrile
Synonym(s): 1-Cyano-1-phenylcyclopentane
Chapman & Hall Number: DFC29-M
CAS Registry Number: 77-57-6
Molecular Formula: C12H13N
Molecular Weight: 171.241
Accurate Mass: 171.104799
Percentage Composition: C 84.17%; H 7.65%; N 8.18%
Boiling Point: Bp6 125-127

References
Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 2, 982B, (nmr)
Aldrich Library of FT-IR Spectra, 1st edn., 1985, 2, 138A, (ir)
Taguchi, T., Yakugaku Zasshi, 1952, 72, 921; CA, 47, 6359, (synth)
v. Heyningen, E., J.A.C.S., 1952, 74, 4861, (synth)
Levshina, K.V. et al., CA, 1954, 48, 584, (synth)
Marguilis, T.N. et al., Acta Cryst. B, 1975, 31, 1049, (cryst struct)

[00039142-6] A20

Entry Name: 2-Phenylcyclopentanecarboxylic acid, 9CI
Chapman & Hall Number: DFC30-G

Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
General Statement: Pre-1973 preparations appear to be of the trans-form

Derivative: Chloride
Chapman & Hall Number: DFC33-J
Molecular Formula: C12H13ClO
Molecular Weight: 208.687
Accurate Mass: 208.065492
Percentage Composition: C 69.07%; H 6.28%; Cl 16.99%; O 7.67%
Boiling Point: Bp12 150-153

Derivative: Anilide
Chapman & Hall Number: DFC34-K
Molecular Formula: C18H19NO
Molecular Weight: 265.354
Accurate Mass: 265.146664
Percentage Composition: C 81.48%; H 7.22%; N 5.28%; O 6.03%
Boiling Point: Bp12 150-153

Variant: (1RS,2RS)-form
Synonym(s): (?-trans-form
Chapman & Hall Number: MRN83-C
CAS Registry Number: 37108-09-1
Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
Physical Description: Cryst.
Melting Point: Mp 78-80

Derivative: Me ester
Chapman & Hall Number: MRN84-D
CAS Registry Number: 37108-10-4
Molecular Formula: C13H16O2
Molecular Weight: 204.268
Accurate Mass: 204.11503
Percentage Composition: C 76.44%; H 7.89%; O 15.67%
Physical Description: Cryst.
Melting Point: Mp 82-84

References
Baker, W. et al., J.C.S., 1948, 974, (synth)
Stevens, C.L. et al., J.O.C., 1966, 31, 2593, (synth)
Bordwell, F.G. et al., J.O.C., 1973, 38, 571, (synth)
Lu, W.Y. et al., J.O.C., 1990, 55, 2503, (Me ester)

[00039143-2] A20

Entry Name: 3-Phenylcyclopentanecarboxylic acid
Chapman & Hall Number: DFC35-L
Structure by analogy with 2-Phenylcyclopentanecarboxylic acid, DFC30-G

Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
General Statement: No data on configs. (1994)
Melting Point: Mp 17-18.5
Boiling Point: Bp0.2 137-138

Derivative: Me ester
Chapman & Hall Number: MRN85-E
CAS Registry Number: 62517-88-8
Molecular Formula: C13H16O2
Molecular Weight: 204.268
Accurate Mass: 204.11503
Percentage Composition: C 76.44%; H 7.89%; O 15.67%
Physical Description: Cryst.
Melting Point: Mp 83-85
Other Data: Also descr. as liq.

Derivative: Chloride
Chapman & Hall Number: DFC36-M
Molecular Formula: C12H13ClO
Molecular Weight: 208.687
Accurate Mass: 208.065492
Percentage Composition: C 69.07%; H 6.28%; Cl 16.99%; O 7.67%
Boiling Point: Bp15 159-162

Derivative: Amide
Chapman & Hall Number: DFC37-N
Molecular Formula: C12H15NO
Molecular Weight: 189.257
Accurate Mass: 189.115364
Percentage Composition: C 76.16%; H 7.99%; N 7.40%; O 8.45%
Melting Point: Mp 149

Derivative: Anilide
Chapman & Hall Number: DFC38-O
Molecular Formula: C18H19NO
Molecular Weight: 265.354
Accurate Mass: 265.146664
Percentage Composition: C 81.48%; H 7.22%; N 5.28%; O 6.03%
Melting Point: Mp 107

References
Baker, W. et al., J.C.S., 1948, 974, (synth)
Grunewald, G.L. et al., J.O.C., 1988, 53, 4021, (synth, ir, pmr, cmr, ms, ester)
Moriarty, R.M. et al., J. Med. Chem., 1998, 41, 468-477, (Me ester, synth)
Giurg, M. et al., Synth. Commun., 1999, 29, 2281-2291, (synth, ir, pmr, cmr, ms)

[00039144-9] A20

Entry Name: 1,2,3,4-Tetrahydro-2-naphthaleneacetic acid
Chapman & Hall Number: NFJ12-R

Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%

Variant: (R)-form
Chapman & Hall Number: NFJ13-S
CAS Registry Number: 130850-35-0
Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
Physical Description: Cryst. (diisopropyl ether)
Melting Point: Mp 118-119
Optical Rotation: [a]28D +79.8 (c, 0.96 in MeOH) (99.1% ee)

Variant: (S)-form
Chapman & Hall Number: NFJ14-T
CAS Registry Number: 130850-34-9
Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
Physical Description: Cryst. (diisopropyl ether)
Melting Point: Mp 118-119
Optical Rotation: [a]22D ?0.1 (c, 1 in MeOH) (98.9% ee)

Derivative: Chloride
Chapman & Hall Number: NFJ15-U
CAS Registry Number: 159011-43-5
Molecular Formula: C12H13ClO
Molecular Weight: 208.687
Accurate Mass: 208.065492
Percentage Composition: C 69.07%; H 6.28%; Cl 16.99%; O 7.67%
Physical Description: Oil
Boiling Point: Bp0.5 98-100

Variant: (?-form
Chapman & Hall Number: NFJ16-V
CAS Registry Number: 147384-05-2
Molecular Formula: C12H14O2
Molecular Weight: 190.241
Accurate Mass: 190.09938
Percentage Composition: C 75.76%; H 7.42%; O 16.82%
Physical Description: Cryst. (EtOH aq.)
Melting Point: Mp 85-87

References
Tanaka, Y. et al., J. Med. Chem., 1994, 37, 2071, (synth, resoln, ir, pmr)

回复人：tangyyer,★★★★★ (有空来逛逛my blog: http://tangyyer.blog.hexun.com) 时间：2006-03-14 08:22:43 编辑	3楼
这是常见的哈，不常见的就算了。

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