uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732438B2
查看IDENTITY
结构与身份
- 标准SMILES
- C=C(Br)CBr
- InChIKey
- YMFWYDYJHRGGPF-UHFFFAOYSA-N
- 分子式
- C3H4Br2
- 平均分子量
- 199.87 g/mol
- 单同位素质量
- 197.86798
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 1
- 重原子
- 5
- 形式电荷
- 0
- 复杂度
- 40
PROPERTIES
实验与物化性质
Vapor Pressure
7.58 [mmHg]
Physical Description
Liquid; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
852.8;852
GHS
GHS分类
GHS Classification
Danger
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (93.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (10.9%): 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)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Hazards Summary
Intravenous LD50 (mouse) = 100 mg/kg; [RTECS] An irritant that may cause serious eye injury; A lachrymator; Harmful by ingestion and inhalation; [Sigma-Aldrich MSDS] See 2-Bromo-1-propene, 1-Bromo-1-propene, and Allyl bromide.
Hazard Classes and Categories
Acute Tox. 4 (89.1%);Skin Irrit. 2 (13%);Eye Dam. 1 (93.5%);Acute Tox. 4 (89.1%);STOT SE 3 (10.9%)
TOXICITY
毒理信息
Adverse Effects
Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
USES
用途与制造
General Manufacturing Information
1-Propene, 2,3-dibromo-: ACTIVE
ALIASES
名称与别名
REACTIONS
相关反应
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