1-메틸인돌-3-아세토니트릴

2-(1-methyl-1H-indol-3-yl)acetonitrile

HCID 10654720

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51584-17-9
표준 SMILES: Cn1cc(CC#N)c2ccccc21
InChIKey: DHAXZZYQEUESTH-UHFFFAOYSA-N
분자식: C11H10N2
평균 분자량: 170.21 g/mol
단동위원소 질량: 170.08439833

이름 및 식별자

우선 이름: 2-(1-methyl-1H-indol-3-yl)acetonitrile
IUPAC: 2-(1-methylindol-3-yl)acetonitrile
현지명: 1-메틸인돌-3-아세토니트릴
영어명: 1-Methylindole-3-acetonitrile
분자식: C11H10N2
분자량: 170.21

이름 및 동의어

2-(1-methyl-1H-indol-3-yl)acetonitrileRefChem:451049821-773-851584-17-91-Methylindole-3-acetonitrile1-Methyl indole-3-acetonitrile2-(1-methylindol-3-yl)acetonitrileMFCD09038157(1-methyl-1H-indol-3-yl)acetonitrile2-(1-Methyl-3-indolyl)acetonitrile1-Methyl-3-indolylacetonitrileSCHEMBL5645566

이름 더 보기

1-메틸인돌-3-아세토니트릴1H-Indole-3-acetonitrile, 1-methyl-

SCHEMBL30958471DTXSID30442994DHAXZZYQEUESTH-UHFFFAOYSA-N2-(1-methylindol-3-yl)ethanenitrileAKOS005146229FS-3760SB15044AC-22978

데이터베이스 식별자

CAS: 51584-17-9
PubChem CID: 10654720
DTXSID: DTXSID30442994
EC Number: 821-773-8
Nikkaji: J834.535J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 58 · 58-59 °C
끓는 점: 123 · 123-131 °C(Press: 0.15 Torr)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.