Chloromethyl benzoate

HCID 79257

Basic information

CAS
5335-05-7
Standard SMILES
O=C(OCCl)c1ccccc1
InChIKey
BOXZXICVMMSYPE-UHFFFAOYSA-N
Molecular formula
C8H7ClO2
Average molar mass
170.59 g/mol
Monoisotopic mass
170.0134572

Names & identifiers

Preferred name
Chloromethyl benzoate
IUPAC
chloromethyl benzoate
English name
Chloromethyl benzoate
Molecular formula
C8H7ClO2
Molecular weight
170.59

Names & synonyms

Chloromethyl benzoate5335-05-79K5D6QG3XNMethanol, chloro-, benzoateNSC-2876DTXSID30967975NSC 2876EINECS 226-254-4METHANOL, 1-CHLORO-, 1-BENZOATEAI3-17422RefChem:125438DTXCID401395567
Show more names
Chloromethanol benzoateMethanol,1-chloro-,benzoateBenzoic acid chlroMethyl ester
226-254-4ChloromethylbenzoateMFCD00040116BENZOIC ACID CHLOROMETHYL ESTERC6H5COOCH2ClUNII-9K5D6QG3XNSCHEMBL557186BENZOYLOXYMETHYL CHLORIDE

Database identifiers

CAS
5335-05-7
PubChem CID
79257
DTXSID
DTXSID30967975
UNII
9K5D6QG3XN
EC Number
226-254-4
Nikkaji
J217.895H

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
114 · 114-115 °C(Press: 8 Torr)
Density
1.229 · 1.229±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
liquid
color
Colourless
FDA UNII
9 K5D6QG3XN · 9K5D6QG3XN

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23210
Hazard Classes and CategoriesAcute 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 information

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

Safety data

hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers54 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]

Related reactions

24 records

Compound notes

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