750 AstraZeneca ELN dataset
查看IDENTITY
结构与身份
- 标准SMILES
- Fc1cccc(Br)c1
- InChIKey
- QDFKKJYEIFBEFC-UHFFFAOYSA-N
- 分子式
- C6H4BrF
- 平均分子量
- 175 g/mol
- 单同位素质量
- 173.94804
COMPUTED
结构计算性质
- XLogP
- 3.2
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 74
PROPERTIES
实验与物化性质
Kovats Retention Index
932.8
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (2 of 79) of reports.
Warning
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids];H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (94.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 79 reports by companies.;There are 9 notifications provided by 77 of 79 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30641
1-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (97.5%);Acute Tox. 4 (94.9%);Skin Irrit. 2 (96.2%);Eye Irrit. 2A (94.9%)
TOXICITY
毒理信息
RAIS Toxicity Values
0.03
SCREEN Current
0.0003
SCREEN Current
0.003
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
1-Bromo-3-fluorobenzene
PDF Document
Inadequate information to assess carcinogenic potential
2017
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
2.30e+01
3.50e+02
4.90e+00
1.00e+01
4.70e-03
3.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
7.00e+01
1.10e+03
1.50e+01
1.00e+01
3.00e-04
Volatile
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30641
1-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Benzene, 1-bromo-3-fluoro-: ACTIVE
ALIASES
名称与别名
REACTIONS
相关反应
750 AstraZeneca ELN dataset
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