4-Oxiran-2-ylbenzonitrile

Modify Date: 2025-10-19 09:33:46

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

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

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
InChIKey	WLNIRLBZLAAEAQ-UHFFFAOYSA-N
SMILES	N#Cc1ccc(C2CO2)cc1

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

HS Code	2926909090

2-Bromo-4'-cyan...

CAS#:20099-89-2

~90%

4-Oxiran-2-ylbe...

CAS#:52695-39-3

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

Trimethylsulfon...

CAS#:2181-42-2

4-Cyanobenzaldehyde

CAS#:105-07-7

~14%

4-Oxiran-2-ylbe...

CAS#:52695-39-3

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

4-CYANOSTYRENE

CAS#:3435-51-6

~74%

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

Trimethylsulfox...

CAS#:1774-47-6

4-Cyanobenzaldehyde

CAS#:105-07-7

~25%

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-(2-bromo-...

CAS#:85554-13-8

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

Precursor 6
CAS#:20099-89-2 2-Bromo-4'-cyan... CAS#:2181-42-2 Trimethylsulfon... CAS#:105-07-7 4-Cyanobenzaldehyde CAS#:3435-51-6 4-CYANOSTYRENE
CAS#:1774-47-6 Trimethylsulfox... CAS#:85554-13-8 (±)-4-(2-bromo-...
DownStream 3
CAS#:3435-51-6 4-CYANOSTYRENE CAS#:179694-33-8 4-(2S)-2-oxiran... CAS#:173727-98-5 4-[(1R)-1,2-dih...

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%

4-Oxiran-2-ylbenzonitrile

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Product Name: 4-oxiran-2-ylbenzonitrile
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Purity: 98.0%
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4-Oxiran-2-ylbenzonitrile

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.