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

HCID 11118637

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基本情報

CAS: 212631-85-1
標準SMILES: O=C(O)c1cc(Br)c(F)c(F)c1F
InChIKey: XQIATTAAVBLNAN-UHFFFAOYSA-N
分子式: C7H2BrF3O2
平均分子量: 254.99 g/mol
単同位体質量: 253.91903

名称と識別子

優先名称: 5-Bromo-2,3,4-trifluorobenzoic acid
IUPAC: 5-bromo-2,3,4-trifluorobenzoic acid
英語名: 5-Bromo-2,3,4-trifluorobenzoic acid
分子式: C7H2BrF3O2
分子量: 254.99

名称と別名

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

名称をさらに表示

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

AT21463SY403531CS-0103702EN300-344005F612157

データベース識別子

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

物性

構造計算による物性

XLogP: 2.4
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 214

物理化学的性質

貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

hs_code: 2916399090

化学と産業

応用分野

使用5-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.