2,4-Dibromo-6-methylphenol 分子结构式
HCID11861

2,4-Dibromo-6-methylphenol

C7H6Br2O265.93 g/molCAS 609-22-3

IDENTITY

结构与身份

标准SMILES
Cc1cc(Br)cc(Br)c1O
InChIKey
XMKVPKGYUXVWEB-UHFFFAOYSA-N
分子式
C7H6Br2O
平均分子量
265.93 g/mol
单同位素质量
263.87854

COMPUTED

结构计算性质

已同步
XLogP
2.4
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
10
形式电荷
0
复杂度
118

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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 Dam. 1 (100%);STOT SE 3 (100%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Phenol, 2,4-dibromo-6-methyl-: INACTIVE

ALIASES

名称与别名

共 33 条
2,4-Dibromo-6-methylphenol4,6-Dibromo-o-cresolPhenol, 2,4-dibromo-6-methyl-o-Cresol, 4,6-dibromo-NSC 6223AI3-00101DTXSID5060568TOLUENE,3,5-DIBROMO,2-HYDROXYRefChem:82296DTXCID0042901965-464-7InChI=1/C7H6Br2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H609-22-3MFCD001523902,4-dibromo-6-methyl-phenolNSC6223o-Cresol,6-dibromo-4,6-Dibrom-o-KresolPhenol,4-dibromo-6-methyl-SCHEMBL670489

REACTIONS

参与反应

5
HRID 402771 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08742110B2

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HRID 444099 反应方程式

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04263037

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HRID 1155974 反应方程式

uspto-grants-1982_06 · 10.6084/m9.figshare.5104873.v1 · US04333759

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HRID 2159335 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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HRID 2290114 反应方程式

uspto-grants-2000_07 · 10.6084/m9.figshare.5104873.v1 · US06093838

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