6-Methylpyridine-3-carbonitrile

HCID 281995CAS 3222-48-8

기본 정보

표준 SMILES: Cc1ccc(C#N)cn1
InChIKey: PBLOYQAQGYUPCM-UHFFFAOYSA-N
분자식: C7H6N2
평균 분자량: 118.14 g/mol
단동위원소 질량: 118.05309819

이름 및 식별자

우선 이름: 6-Methylpyridine-3-carbonitrile
IUPAC: 6-methylpyridine-3-carbonitrile
영어명: 5-CYANO-2-METHYLPYRIDINE
분자식: C7H6N2
분자량: 118.14

이름 및 동의어

6-methylpyridine-3-carbonitrileRefChem:544039677-851-53222-48-85-CYANO-2-METHYLPYRIDINE5-Cyano-2-picoline6-MethylnicotinonitrileMFCD000380426-Methyl-nicotinonitrile6-Methyl-3-pyridinecarbonitrile3-PYRIDINECARBONITRILE, 6-METHYL-3-CYANO-6-METHYLPYRIDINE

이름 더 보기

5-Cyan6-Methylnicotinitrile5-Cyano-2-methylpyridine >5-CYANO-2-METHYLPYRIDINE 99%6-Methylpyridin-3-carbonitrile

NSC1350422-methyl-5-cyanopyridine6-Methylnicotinonitrile #SCHEMBL135947SCHEMBL171975SCHEMBL451375SCHEMBL4756555SCHEMBL29794327

데이터베이스 식별자

CAS: 3222-48-8
PubChem CID: 281995
DTXSID: DTXSID60300134
EC Number: 677-851-5
Nikkaji: J1.650.470J

물성

구조 계산 물성

XLogP: 1
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 83 · 83-85°C
끓는 점: 216 · 216-217°C
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
인화점: 216 · 216-217°C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.51 · 2.51±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 111235 · 111235
InChI: 1S/C7H6N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,1H3
InChIKey: PBLOYQAQGYUPCM-UHFFFAOYSA-N
SMILES: Cc1ccc(cn1)C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (88.9%)

안전 데이터

wgk: 1
ridadr: 3439
HS 번호: 2933399990
risk_code: 22-41-25
hazard_code: T+,T
safety_code: 26-36/37/39-45-39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects