CAS 24662-37-1 1-Methyl-1H-indole-3-carbonitrile (HCID 2307681)

기본 정보

CAS: 24662-37-1
표준 SMILES: Cn1cc(C#N)c2ccccc21
InChIKey: FBAXZPMXGBNBPE-UHFFFAOYSA-N
분자식: C10H8N2
평균 분자량: 156.18 g/mol
단동위원소 질량: 156.06874826

이름 및 식별자

우선 이름: 1-Methyl-1H-indole-3-carbonitrile
IUPAC: 1-methylindole-3-carbonitrile
현지명: 3-시아노-1-메틸린돌
영어명: 3-Cyano-1-methylindole
분자식: C10H8N2
분자량: 156.18

이름 및 동의어

1-Methyl-1H-indole-3-carbonitrile24662-37-11-methylindole-3-carbonitrileM3RSC92FMWDTXSID30367996RefChem:1055739DTXCID103190341H-Indole-3-carbonitrile, 1-methyl-3-Cyano-1-methylindoleMFCD00466602CHEMBL205035F9995-1129

이름 더 보기

3-시아노-1-메틸린돌1-methyl-indole-3-carbonitrile1-Methylindole-3-carbonitrile,96%1H-Indole-3-carbonitrile,1-methyl-(9CI)1-methyl-1H-indole-3-carbonitrile(SALTDATA: FREE)

1H-Indole-3-carbonitrile,1-methyl-1-Methyl-3-cyanoindoleUNII-M3RSC92FMW1-methyl-3-indolecarbonitrileSCHEMBL1778037SCHEMBL39800323-Cyano(1-methyl-1H-indole)CHEMBL-205035

데이터베이스 식별자

CAS: 24662-37-1
PubChem CID: 2307681
DTXSID: DTXSID30367996
ChEMBL: CHEMBL205035
UNII: M3RSC92FMW
EC Number: 691-896-8
Nikkaji: J1.657.476G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 55 · 55-56℃
끓는 점: 327.8 · 327.8±15.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: solid
InChI: 1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
InChIKey: FBAXZPMXGBNBPE-UHFFFAOYSA-N
SMILES: Cn1cc(C#N)c2ccccc12

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (20%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2934999090
risk_code: 25-36
hazard_code: T
safety_code: 26-45
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects