CAS 308846-06-2 5-(Bromomethyl)pyridine-2-carbonitrile (HCID 21927727)

기본 정보

CAS: 308846-06-2
표준 SMILES: N#Cc1ccc(CBr)cn1
InChIKey: VEPVNICICSNYPW-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361

이름 및 식별자

우선 이름: 5-(Bromomethyl)pyridine-2-carbonitrile
IUPAC: 5-(bromomethyl)pyridine-2-carbonitrile
영어명: 2-Cyano-5-bromomethylpyridine
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

308846-06-25-(BROMOMETHYL)PYRIDINE-2-CARBONITRILEDTXSID90620236RefChem:300290DTXCID00570990688-421-15-(Bromomethyl)picolinonitrile2-Cyano-5-bromomethylpyridine2-Pyridinecarbonitrile, 5-(bromomethyl)-MFCD090378575-(bromomethyl)-2-pyridinecarbonitrile5-(Bromomethyl)-2-cyanopyridine

이름 더 보기

2-Cyano-5-bromomethylpyridine ISO 9001：2015 REACH5-(Bromomethyl)-2-cyanopyridine, 5-(Bromomethyl)picolinonitrile

5-Bromomethylpyridine-2-carbonitrile5-Bromomethyl-pyridine-2-carbonitrileBC0035932-CYANO-5-BROMIDE-METHYL PYRIDINE6-Cyano-3-picolylbromide5-bromomethyl-2-cyanopyridineSCHEMBL507109VEPVNICICSNYPW-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 308846-06-2
PubChem CID: 21927727
DTXSID: DTXSID90620236
EC Number: 688-421-1

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 329.5 · 329.5±32.0 °C(Predicted)
밀도: 1.6 · 1.60±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.23 · -1.23±0.10(Predicted)
InChI: InChI=1S/C7H5BrN2/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3H2
InChIKey: VEPVNICICSNYPW-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(CBr)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (75%)

안전 데이터

HS 번호: 2933399990
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사68 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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