HCID66052

tert-Butyl chloroacetate

tert-butyl 2-chloroacetate

C6H11ClO2150.6 g/molCAS 107-59-5

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)CCl
InChIKey: KUYMVWXKHQSIAS-UHFFFAOYSA-N
分子式: C6H11ClO2
平均分子量: 150.6 g/mol
单同位素质量: 150.0447573

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 9
形式电荷: 0
复杂度: 104

PROPERTIES

实验与物化性质

Kovats Retention Index

891

1280

GHS

GHS分类

GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302+H312 (13.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (48.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (51.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (28.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (51.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (97.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H400 (34.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (34.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 9 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

Regulatory Information

Status: Active Update: 23-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20774

Hazard Classes and Categories

Flam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (48.8%)；Skin Irrit. 2 (51.2%)；Skin Sens. 1 (28.6%)；Eye Irrit. 2 (51.2%)；Acute Tox. 3 (97.6%)；Aquatic Acute 1 (34.5%)；Aquatic Chronic 1 (34.5%)

REGULATORY

法规信息

Regulatory Information

Status: Active Update: 23-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20774

USES

用途与制造

General Manufacturing Information

Acetic acid, 2-chloro-, 1,1-dimethylethyl ester: ACTIVE

ALIASES

名称与别名

共 51 条

tert-Butyl chloroacetate107-59-5Chloroacetic acid tert-butyl estert-Butyl chloroacetateAcetic acid, chloro-, 1,1-dimethylethyl esterAcetic acid, chloro-, tert-butyl esterEINECS 203-506-1NSC 87891AI3-39154NSC-8789105TMW982982-Chloroacetic acid 1,1-dimethylethyl esterTERT-BUTYL CHLOROACETATE [MI]Acetic acid, 2-chloro-, 1,1-dimethylethyl esterRefChem:894636Acetic acid, chloro-, tert-butyl ester (8CI)203-506-1tert-butyl 2-chloroacetateMFCD000009301,1-Dimethylethyl chloroacetate

REACTIONS