uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741480B2
查看IDENTITY
结构与身份
- 标准SMILES
- ClC[C@H]1CO1
- InChIKey
- BRLQWZUYTZBJKN-VKHMYHEASA-N
- 分子式
- C3H5ClO
- 平均分子量
- 92.52 g/mol
- 单同位素质量
- 92.0028925
COMPUTED
结构计算性质
- XLogP
- 0.5
- 极性表面积
- 12.5 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 5
- 形式电荷
- 0
- 复杂度
- 37
GHS
GHS分类
GHS Classification
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids];H301: Toxic if swallowed [Danger Acute toxicity, oral];H311: Toxic in contact with skin [Danger Acute toxicity, dermal];H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317: May cause an allergic skin reaction [Warning Sensitization, Skin];H331: Toxic if inhaled [Danger Acute toxicity, inhalation];H350: May cause cancer [Danger Carcinogenicity]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
HAZARDS
危害信息
Regulatory Information
Hazard Traits - Carcinogenicity;Authoritative List - EC Annex VI CMRs - Cat. 1B;Report - if used as a fragrance or flavor ingredient
Status: Cease Manufacture Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23063;Status: Active Update: 15-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9019
Hazard Classes and Categories
Flam. Liq. 3 (100%);Acute Tox. 3 (100%);Acute Tox. 3 (100%);Skin Corr. 1B (100%);Skin Sens. 1 (100%);Acute Tox. 3 (100%);Carc. 1B (100%);Repr. 2 (10.3%)
Flam. Liq. 3 (98.6%);Acute Tox. 3 (98.6%);Acute Tox. 3 (98.6%);Skin Corr. 1B (98.6%);Skin Sens. 1 (98.6%);Acute Tox. 3 (97.2%);Carc. 1B (98.6%)
Flammable liquid - category 3;Carcinogenicity - category 1B;Acute toxicity - category 3;Acute toxicity - category 3;Skin corrosion - category 1B;Skin sensitisation - category 1
Flammable liquids - Category 3;Acute toxicity (Oral) - Category 3;Acute toxicity (Dermal) - Category 3;Acute toxicity (Inhalation: Vapours) - Category 2;Skin corrosion/irritation - Category 1;Serious eye damage/eye irritation - Category 1;Respiratory sensitization - Category 1;Skin sensitization - Category 1;Germ cell mutagenicity - Category 2;Reproductive toxicity - Category 2;Specific target organ toxicity - Single exposure - Category 1 (kidney), Category 2 (liver, digestive system), Category 3 (respiratory tract irritation);Specific target organ toxicity - Repeated exposure - Category 1 (digestive system, respiratory system, kidney, liver)
Flam. Liq. 3;Carc. 1B;Acute Tox. 3 *;Acute Tox. 3 *;Acute Tox. 3 *;Skin Corr. 1B;Skin Sens. 1
REGULATORY
法规信息
Regulatory Information
Hazard Traits - Carcinogenicity;Authoritative List - EC Annex VI CMRs - Cat. 1B;Report - if used as a fragrance or flavor ingredient
Status: Cease Manufacture Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23063;Status: Active Update: 15-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9019
ALIASES
名称与别名
REACTIONS
参与反应
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