HCID59473773

4-Bromo-2-fluoro-6-methylbenzamide

C8H7BrFNO232.05 g/molCAS 1242156-51-9

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IDENTITY

结构与身份

标准SMILES: Cc1cc(Br)cc(F)c1C(N)=O
InChIKey: IJOBPZLSYVGZPQ-UHFFFAOYSA-N
分子式: C8H7BrFNO
平均分子量: 232.05 g/mol
单同位素质量: 230.9695

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 43.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 188

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 14 条

4-bromo-2-fluoro-6-methylbenzamide1242156-51-9Benzamide, 4-bromo-2-fluoro-6-methyl-MFCD28405379SCHEMBL1725337IJOBPZLSYVGZPQ-UHFFFAOYSA-NCS-M31424-bromo-2-fluoro-6-methyl-benzamideAKOS027334608CS-14902SY391330DB-205759F474120A1-42206

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID1547813

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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HRID2069706

uspto-grants-2012_10

作为反应物

uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08299077B2

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