2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin

HCID 95320CAS 2164-33-2

Substructure search Find similar structures

Basic information

Standard SMILES: ClCC1COc2ccccc2O1
InChIKey: AYPKYQSHFKQVDL-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxin
IUPAC: 3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
English name: 2-(Chloromethyl)-2,3-dihydro-1,4-benzodioxine
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

2164-33-22-(Chloromethyl)-2,3-dihydro-1,4-benzodioxinDTXSID6012581451,4-Benzodioxin, 2-(chloromethyl)-2,3-dihydro-NSC 1500EINECS 218-502-5NSC 24519NSC 33830AI3-26023RefChem:460163DTXCID001688877218-502-5

Show more names

TIMTEC-BB SBB0101272-(CHLOROMETHYL)-1,4-BENZODIOXAN2-Chloromethyl-1-4-benzodioxane-97%

2-(chloromethyl)-2,3-dihydro-1,4-benzodioxine2-Chloromethyl-1,4-benzodioxane2-(chloromethyl)-2,3-dihydrobenzo[b][1,4]dioxine3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine2-Chloromethyl-2,3-dihydro-benzo[1,4]dioxineMFCD00014666NSC-1500NSC-24519

Database identifiers

CAS: 2164-33-2
PubChem CID: 95320
DTXSID: DTXSID601258145
UNII: QBM9T3N34M
EC Number: 218-502-5
Nikkaji: J299.132B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 96 °C · 96 °C
refractive index: 1.554 · 1.5540
Flash point: 96 °C/0.4mm · 96°C/0.4mm
BRN: 150153 · 150153
FDA UNII: 9 T3N34M · QBM9T3N34M
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is a useful reactant for the synthesis of various organic compounds such as benzenesulfonamide derivatives.