Benzene, (chloromethyl)phenoxy-

HCID 169302

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Basic information

CAS: 31426-72-9
Standard SMILES: ClCc1ccccc1Oc1ccccc1
InChIKey: VIGILLBRWRDXDA-UHFFFAOYSA-N
Molecular formula: C13H11ClO
Average molar mass: 218.68 g/mol
Monoisotopic mass: 218.0498427

Names & identifiers

Preferred name: Benzene, (chloromethyl)phenoxy-
IUPAC: 1-(chloromethyl)-2-phenoxybenzene
English name: 1-(chloromethyl)-2-phenoxy-benzene
Molecular formula: C13H11ClO
Molecular weight: 218.68

Names & synonyms

1-(chloromethyl)-2-phenoxybenzene5888-53-92-Phenoxybenzyl ChlorideMonochloromethyl diphenyl oxideBenzene, (chloromethyl)phenoxy-EINECS 250-623-9DTXSID40974377RefChem:562131DTXCID801401805678-459-7MFCD004497491-(Chloromethyl)-2-phenoxy-benzene

Show more names

2-PhenoxybenzylChloride>2-(Chloromethyl)diphenyl EtherBenzene,1-(chloroMethyl)-2-phenoxy-2-PHENOXYBENZYL CHLORIDE,97.0+%(GC)

2-(Chloromethyl)diphenylether31426-72-9o-phenoxybenzyl chloride2-(Chloromethyl)diphenyl Etherorb3022794SCHEMBL3142433SCHEMBL10471231SCHEMBL28541520

Database identifiers

CAS: 31426-72-9、5888-53-9
PubChem CID: 169302
DTXSID: DTXSID40974377
EC Number: 250-623-9、678-459-7
Nikkaji: J31.984H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 177

Physicochemical properties

Boiling point: 172 °C · 172 °C / 16mmHg
Density: 1.18 · 1.18
refractive index: 1.589 to · 1.5890 to 1.5930
CAS DataBase Reference: 5888 · 5888-53-9
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H314
Precautionary statements: 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
RIDADR: 3265 · UN 3265 8/PG II
HazardClass: 8 · 8
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and CategoriesMet. Corr. 1 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (100%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)

Safety data

ridadr: UN 3265 8/PG II
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
packing_group: II
Hazard statements: H290-H314
Precautionary statements: P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501