1,2-디메틸-1H-인돌-3-카르복스알데히드

1,2-Dimethyl-1H-indole-3-carboxaldehyde

HCID 599084CAS 38292-40-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1c(C=O)c2ccccc2n1C
InChIKey: HYGUWHAXRMPCCP-UHFFFAOYSA-N
분자식: C11H11NO
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.08406397

이름 및 식별자

우선 이름: 1,2-Dimethyl-1H-indole-3-carboxaldehyde
IUPAC: 1,2-dimethylindole-3-carbaldehyde
현지명: 1,2-디메틸-1H-인돌-3-카르복스알데히드
영어명: 1,2-DIMETHYL-1H-INDOLE-3-CARBOXALDEHYDE
분자식: C11H11NO
분자량: 173.21

이름 및 동의어

1,2-Dimethyl-1H-indole-3-carboxaldehydeRefChem:411750674-350-338292-40-91,2-Dimethyl-1H-indole-3-carbaldehyde1,2-dimethylindole-3-carbaldehydeMFCD007452941H-Indole-3-carboxaldehyde,1,2-dimethyl-1,2-Dimethyl-3-formylindoleSCHEMBL1792194DTXSID20344736STK279671

이름 더 보기

1,2-디메틸-1H-인돌-3-카르복스알데히드AKOS JY2083297CHEMBRDG-BB 4006399TIMTEC-BB SBB010161ASINEX-REAG BAS 075715011,2-Dimethyl-3-formyl-1H-indole1,2-dimethyl-3-indolecarboxaldehyde

AKOS000265809AB07014PS-5928NCGC00331442-011,2-Dimethyl-1H-indole-3-carbaldehyde #AB01096310-031,2-dimethyl-1H-indole-3-carboxaldehyde, AldrichCPRLCZC2177

데이터베이스 식별자

CAS: 38292-40-9
PubChem CID: 599084
DTXSID: DTXSID20344736
EC Number: 674-350-3
Nikkaji: J566.247H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 204

물리화학적 성질

녹는점: 127 · 127-129
끓는 점: 200 · 200-205 °C(Press: 5 Torr)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: solid
InChI: 1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3
InChIKey: HYGUWHAXRMPCCP-UHFFFAOYSA-N
SMILES: Cc1c(C=O)c2ccccc2n1C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)