5-Bromo-2,3,4-trifluorobenzoic acid

HCID 11118637CAS 212631-85-1

기본 정보

표준 SMILES: O=C(O)c1cc(Br)c(F)c(F)c1F
InChIKey: XQIATTAAVBLNAN-UHFFFAOYSA-N
분자식: C7H2BrF3O2
평균 분자량: 254.99 g/mol
단동위원소 질량: 253.91903

이름 및 식별자

우선 이름: 5-Bromo-2,3,4-trifluorobenzoic acid
IUPAC: 5-bromo-2,3,4-trifluorobenzoic acid
영어명: 5-Bromo-2,3,4-trifluorobenzoic acid
분자식: C7H2BrF3O2
분자량: 254.99

이름 및 동의어

5-bromo-2,3,4-trifluorobenzoic acid212631-85-1DTXSID60455895RefChem:301491DTXCID90406714828-582-9Benzoic acid, 5-bromo-2,3,4-trifluoro-MFCD127567715-bromo-2,3,4-trifluoro-benzoic AcidSCHEMBL1342951SCHEMBL29781380AKOS023095373

이름 더 보기

XQIATTAAVBLNAN-UHFFFAOYSA-N3-BROMO-4,5,6-TRIFLUOROBENZOIC ACID

AT21463SY403531CS-0103702EN300-344005F612157

데이터베이스 식별자

CAS: 212631-85-1
PubChem CID: 11118637
DTXSID: DTXSID60455895
EC Number: 828-582-9
Nikkaji: J1.722.474C

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 214

물리화학적 성질

저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H303 (100%): May be 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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 5 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2916399090

화학 및 산업

응용 분야

용도5-Bromo-2,3,4-trifluorobenzoic acid is a halobenzoic acid. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.