3-Chloro-2-methyl-1,2-propanediol

HCID 95357
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Basic information

CAS
597-33-1
Standard SMILES
CC(O)(CO)CCl
InChIKey
AVVXLRRTQZKHSP-UHFFFAOYSA-N
Molecular formula
C4H9ClO2
Average molar mass
124.56 g/mol
Monoisotopic mass
124.02910721

Names & identifiers

Preferred name
3-Chloro-2-methyl-1,2-propanediol
IUPAC
3-chloro-2-methylpropane-1,2-diol
English name
3-chloro-2-methylpropane-1,2-diol
Molecular formula
C4H9ClO2
Molecular weight
124.57

Names & synonyms

597-33-13-Chloro-2-methyl-1,2-propanediol1,2-Propanediol, 3-chloro-2-methyl-DTXSID901299746RefChem:1067566DTXCID301729884209-897-53-Chloro-2-methylpropane-1,2-diolEINECS 209-897-53-chloro-2-methyl-propane-1,2-diolBRN 1733799NSC3711
Show more names
2-Methyl-3-chloro-1,2-propanediol
4-01-00-02536 (Beilstein Handbook Reference)SCHEMBL5310441AVVXLRRTQZKHSP-UHFFFAOYSA-NNSC 3711NSC-3711AKOS006382779NS00043245

Database identifiers

CAS
597-33-1
PubChem CID
95357
DTXSID
DTXSID901299746
EC Number
209-897-5
Nikkaji
J25.790G

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
157.3 °C · 157.3°C (rough estimate)
Density
1.2362 · 1.2362
refractive index
1.4748 · 1.4748 (estimate)

Chemistry & industry

Upstream & downstream products

Suppliers6 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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