3,5-비스(2-시아노프로프-2-일)벤질브로마이드

2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)

HCID 11522359

기본 정보

CAS
120511-84-4
표준 SMILES
CC(C)(C#N)c1cc(CBr)cc(C(C)(C)C#N)c1
InChIKey
IHXHGCDOJLOZML-UHFFFAOYSA-N
분자식
C15H17BrN2
평균 분자량
305.21 g/mol
단동위원소 질량
304.05751

이름 및 식별자

우선 이름
2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)
IUPAC
2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
현지명
3,5-비스(2-시아노프로프-2-일)벤질브로마이드
영어명
3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
분자식
C15H17BrN2
분자량
305.21

이름 및 동의어

2,2'-(5-BROMOMETHYL-1,3-PHENYLENE)DI(2-METHYLPROPIONONITRILE)RefChem:440134601-717-7120511-84-42,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)3,5-bis(2-cyanoprop-2-yl)benzyl bromideAnastrozole EP Impurity CMFCD07782114C15H17BrN2Anastrozole Impurity IV3,5-Bis(1-cyano-1-methylethyl)benzyl Bromide5-Bromomethyl anastrozole
이름 더 보기
3,5-비스(2-시아노프로프-2-일)벤질브로마이드2,2'-[5-(Bromomethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile)forAnastrozoleMethylpropiononitrile)Anastrozol EP impurity CAnastrozole EP Impuriyt Cα'-TetraMethyl-5-broMoMethyl-1Anastrozole Monobromo ImpurityAnastrozole USP Related Compound DBromobenzyl-bis-dimethylacetonitrile
OIS19A3U1G2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)phenyl]-2-methylpropanenitrile5-Bromomethyl anastrozole [USP]2,2'-(5-BROMOMETHYL-1,3-PHENYLENE)-DI-(2-METHYLPROPIONITRILE)AKOS015889686DS-15010CS-01793532-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile

데이터베이스 식별자

CAS
120511-84-4
PubChem CID
11522359
DTXSID
DTXSID30468018
UNII
OIS19A3U1G
EC Number
601-717-7

물성

구조 계산 물성

XLogP
3.7
극성 표면적
47.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
18

물리화학적 성질

녹는점
98 · 98-100°C
끓는 점
380 · 380.0±37.0 °C(Predicted)
밀도
1.276 · 1.276±0.06 g/cm3(Predicted)
저장 조건
2 · Inert atmosphere,2-8°C
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (87.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (87.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 8 reports by companies.;There are 2 notifications provided by 7 of 8 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (87.5%);Acute Tox. 4 (87.5%);Acute Tox. 4 (87.5%)

화학 및 산업

공급사100 곳

济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

관련 반응

6건

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