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
Show more names
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
- Formal charge
- 0
- Complexity
- 130
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
- EPA Substance Registry System
- Chloromethyl benzoate (5335-05-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
Regulatory information
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
Upstream raw materials
Downstream products
Suppliers54 total
Related reactions
Compound notes
Loading…