1H-피롤-3-카르복실산,5-포르밀-4-메틸-(9Cl)

5-Formyl-4-methyl-1H-pyrrole-3-carboxylic acid

HCID 22135453

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 442563-21-5
표준 SMILES: Cc1c(C(=O)O)c[nH]c1C=O
InChIKey: MURQTTKMXZHGGP-UHFFFAOYSA-N
분자식: C7H7NO3
평균 분자량: 153.14 g/mol
단동위원소 질량: 153.04259309

이름 및 식별자

우선 이름: 5-Formyl-4-methyl-1H-pyrrole-3-carboxylic acid
IUPAC: 5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid
현지명: 1H-피롤-3-카르복실산,5-포르밀-4-메틸-(9Cl)
영어명: 1H-Pyrrole-3-carboxylic acid, 5-formyl-4-methyl- (9CI)
분자식: C7H7NO3
분자량: 153.13538

이름 및 동의어

5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid442563-21-5DTXSID90622730RefChem:303248DTXCID80573484857-160-71H-Pyrrole-3-carboxylic acid, 5-formyl-4-methyl- (9CI)SCHEMBL1078596MURQTTKMXZHGGP-UHFFFAOYSA-NMFCD10000697AKOS006302170SY347259

이름 더 보기

1H-피롤-3-카르복실산,5-포르밀-4-메틸-(9Cl)5-formyl-4-methyl-pyrrole-3-carboxylic acid

DB-368717CS-0260172EN300-7463885-formyl-4-methyl- 1 H-pyrrole-3-carboxylic acidZ1198272435

데이터베이스 식별자

CAS: 442563-21-5
PubChem CID: 22135453
DTXSID: DTXSID90622730
EC Number: 857-160-7

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 70.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 181

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.