4-Oxiran-2-ylbenzonitrile

Modify Date: 2024-01-03 20:50:00

4-Oxiran-2-ylbenzonitrile Structure
4-Oxiran-2-ylbenzonitrile structure
Common Name 4-Oxiran-2-ylbenzonitrile
CAS Number 52695-39-3 Molecular Weight 145.15800
Density 1.2g/cm3 Boiling Point 285.7ºC at 760mmHg
Molecular Formula C9H7NO Melting Point N/A
MSDS N/A Flash Point 120.1ºC

 Names

Name 4-(2-Oxiranyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2g/cm3
Boiling Point 285.7ºC at 760mmHg
Molecular Formula C9H7NO
Molecular Weight 145.15800
Flash Point 120.1ºC
Exact Mass 145.05300
PSA 36.32000
LogP 1.62958
Index of Refraction 1.58

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4920000
CHEMICAL NAME :
Benzonitrile, 4-oxiranyl-
CAS REGISTRY NUMBER :
52695-39-3
BEILSTEIN REFERENCE NO. :
1307303
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H7-N-O
MOLECULAR WEIGHT :
145.17
WISWESSER LINE NOTATION :
T3OTJ BR DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
11400 umol/L
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 30,1393,1982

 Safety Information

HS Code 2926909090

 Synthetic Route

~90%

4-Oxiran-2-ylbenzonitrile Structure

4-Oxiran-2-ylbe...

CAS#:52695-39-3

Literature: AstraZeneca AB Patent: US6291475 B1, 2001 ; US 6291475 B1

~14%

4-Oxiran-2-ylbenzonitrile Structure

4-Oxiran-2-ylbe...

CAS#:52695-39-3

Literature: VIFOR (INTERNATIONAL) AG Patent: US2012/214798 A1, 2012 ;

~74%

4-Oxiran-2-ylbenzonitrile Structure

4-Oxiran-2-ylbe...

CAS#:52695-39-3

Literature: Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael Organic and Biomolecular Chemistry, 2014 , vol. 12, # 7 p. 1124 - 1134

~25%

4-Oxiran-2-ylbenzonitrile Structure

4-Oxiran-2-ylbe...

CAS#:52695-39-3

Literature: Iwasaki, Takeshi; Kihara, Nobuhiro; Endo, Takeshi Bulletin of the Chemical Society of Japan, 2000 , vol. 73, # 3 p. 713 - 719

~%

4-Oxiran-2-ylbenzonitrile Structure

4-Oxiran-2-ylbe...

CAS#:52695-39-3

Literature: Kalow, Julia A.; Doyle, Abigail G. Journal of the American Chemical Society, 2011 , vol. 133, # 40 p. 16001 - 16012

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-Oxiran-2-ylbenzonitrile
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