Chloromethyl benzoate 分子结构式
HCID79257

Chloromethyl benzoate

C8H7ClO2170.59 g/molCAS 5335-05-7

IDENTITY

结构与身份

标准SMILES
O=C(OCCl)c1ccccc1
InChIKey
BOXZXICVMMSYPE-UHFFFAOYSA-N
分子式
C8H7ClO2
平均分子量
170.59 g/mol
单同位素质量
170.0134572

COMPUTED

结构计算性质

已同步
XLogP
3
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
3
重原子
11
形式电荷
0
复杂度
130

GHS

GHS分类

GHS Classification

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23210

Hazard Classes and Categories

Acute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Corr. 1B (66.7%);Skin Irrit. 2 (33.3%);Skin Sens. 1 (66.7%);Eye Irrit. 2 (33.3%);Acute Tox. 4 (66.7%);STOT SE 3 (33.3%)

REGULATORY

法规信息

Regulatory Information

Status: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23210

ALIASES

名称与别名

共 34 条
Chloromethyl benzoate5335-05-79K5D6QG3XNMethanol, chloro-, benzoateNSC-2876DTXSID30967975NSC 2876EINECS 226-254-4METHANOL, 1-CHLORO-, 1-BENZOATEAI3-17422RefChem:125438DTXCID401395567226-254-4ChloromethylbenzoateMFCD00040116BENZOIC ACID CHLOROMETHYL ESTERC6H5COOCH2ClUNII-9K5D6QG3XNSCHEMBL557186BENZOYLOXYMETHYL CHLORIDE

REACTIONS

相关反应

24
HRID 4717 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04727151

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HRID 4721 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04727151

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HRID 137182 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 194745 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 204865 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 315398 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 543160 反应方程式

uspto-grants-1987_04 · 10.6084/m9.figshare.5104873.v1 · US04661502

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HRID 582547 反应方程式

uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05925644

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