4,5-DIBROMO-1H-PYRROLE-2-카르복실산

4,5-Dibromo-2-Pyrrolic Acid

HCID 161830CAS 34649-21-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cc(Br)c(Br)[nH]1
InChIKey: ZUROCNHARMFRKA-UHFFFAOYSA-N
분자식: C5H3Br2NO2
평균 분자량: 268.89 g/mol
단동위원소 질량: 266.85305

이름 및 식별자

우선 이름: 4,5-Dibromo-2-Pyrrolic Acid
IUPAC: 4,5-dibromo-1H-pyrrole-2-carboxylic acid
현지명: 4,5-DIBROMO-1H-PYRROLE-2-카르복실산
영어명: 4,5-Dibromo-1H-pyrrole-2-carboxylic acid
분자식: C5H3Br2NO2
분자량: 268.89

이름 및 동의어

4,5-dibromo-1H-pyrrole-2-carboxylic acid34649-21-3DBPA4,5-Dibromo-2-pyrrolic acid1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-DTXSID40188210RefChem:96441DTXCID70110701987-448-9MFCD013482294,5-DIBROMO-1H-PYRROLE-2-CARBOXYLICACIDCHEMBL397590

이름 더 보기

4,5-DIBROMO-1H-PYRROLE-2-카르복실산5-Carboxy-2,3-dibromo-1H-pyrrole4,5-Dibromo-1H-Pyrrole-2-Carboxylic Acid, 10 mM in DMSO

orb1296828orb1940069SCHEMBL1518075ZUROCNHARMFRKA-UHFFFAOYSA-NJBA64921NSC320005TN71724,5-dibromopyrrole-2-carboxylic acid

데이터베이스 식별자

CAS: 34649-21-3
PubChem CID: 161830
DTXSID: DTXSID40188210
ChEMBL: CHEMBL397590
EC Number: 987-448-9
Nikkaji: J88.956C

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 53.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 300 °C · >300°C
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.