1,3-Dioxolane, 2-(bromomethyl)-

HCID 78068CAS 4360-63-8
Substructure searchFind similar structures

Basic information

Standard SMILES
BrCC1OCCO1
InChIKey
CKIIJIDEWWXQEA-UHFFFAOYSA-N
Molecular formula
C4H7BrO2
Average molar mass
167 g/mol
Monoisotopic mass
165.96294156

Names & identifiers

Preferred name
1,3-Dioxolane, 2-(bromomethyl)-
IUPAC
2-(bromomethyl)-1,3-dioxolane
English name
2-Bromomethyl-1,3-dioxolane
Molecular formula
C4H7BrO2
Molecular weight
167

Names & synonyms

2-Bromomethyl-1,3-dioxolane4360-63-82-(bromomethyl)-1,3-dioxolane1,3-Dioxolane, 2-(bromomethyl)-EINECS 224-443-6DTXSID1063431CKIIJIDEWWXQEA-UHFFFAOYSA-RefChem:414886DTXCID8040276224-443-6InChI=1/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2Bromoacetaldehyde ethylene acetal
Show more names
2-(bromomethyl)-3-dioxolane2-Bromomethyl-1,3-diBrassicasterol Impurity 292-Brommethyl-,1,3-dioxolane2-Bromomethyl-1,3-dioxolane 96%2-Bromomethyl-1,3-dioxolane >
MFCD00003214(1,3-Dioxolan-2-yl)methyl bromide2-bromomethyl-1,3-dioxolan2-bromomethyl-[1,3]dioxolane(1,3-dioxolan-2-yl)methylbromideO10502Bromoacetaldehyde diethyl acetallbromomethyl dioxolane

Database identifiers

CAS
4360-63-8
PubChem CID
78068
DTXSID
DTXSID1063431
EC Number
224-443-6
Nikkaji
J205.742E

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
7

Experimental & physicochemical properties

Density1.613 @25 °C

Physicochemical properties

Boiling point
80 · 80-82 °C27 mm Hg(lit.)
Density
1.613 g/mL · 1.613 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.482(lit.)
Flash point
145 °F · 145 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform, Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1,3-Dioxolane, 2-(bromomethyl)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1,3-Dioxolane, 2-(bromomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29049090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Dioxolane, 2-(bromomethyl)-: ACTIVE

Applications

Uses2-Bromomethyl-1,3-dioxolane is used in the preparation of alfa, beta-unsaturated aldehyde and 1, 4-two aldehyde monoacetals synthesis of monomers.

Uses2-Bromomethyl-1,3-dioxolane was used in the synthesis of 1,4-benzoxazepine (BZO) compounds.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

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Linked notes

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