3-Mcpd
Properties
- Molecular formula
- C3H7ClO2
- Molar mass
- 110.54 g/mol
- Exact mass
- 110.0135 Da
- Density
- 1.3218 g/mL (at 20 °C)
- Melting point
- 34.4 °C
- Boiling point
- 116 °C
- Flash point
- 113 °C (closed cup)
- Water solubility
- miscible
- logP
- -0.42Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H290 May be corrosive to metals14.4% of notifiers
- H300 Fatal if swallowed81.1% of notifiers
- H301 Toxic if swallowed18.9% of notifiers
- H312 Harmful in contact with skin83.1% of notifiers
- H315 Causes skin irritation69.2% of notifiers
- H318 Causes serious eye damage95% of notifiers
- H330 Fatal if inhaled74.1% of notifiers
- H331 Toxic if inhaled18.9% of notifiers
- H351 Suspected of causing cancer88.1% of notifiers
- H360 May damage fertility or the unborn child96.5% of notifiers
- H370 Causes damage to organs65.7% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure70.6% of notifiers
Aggregated from 201 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P362+P364, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
96-24-2SMILES
OCC(O)CClInChIKey
SSZWWUDQMAHNAQ-UHFFFAOYSA-NInChI
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
32 names · show all
- 1,2-Propanediol, 3-chloro-
- 3-Chloro-1,2-propanediol
- 1-Chloro-2,3-dihydroxypropane
- 3-Chloro-1,2-dihydroxypropane
- 3-Chloropropylene glycol
- Glycerin α-monochlorhydrin
- Glycerol α-chlorohydrin
- Glycerol α-monochlorohydrin
- α-Chlorohydrin
- 1-Chloro-2,3-propanediol
- Chloropropanediol
- Glycerol 3-chlorohydrin
- 3-Chloropropanediol
- Chlorohydrin
- Glyceryl α-chlorohydrin
- Glyceryl chloride
- Glycerin epichlorohydrin
- Glycerol monochlorohydrin
- 1,2-Dihydroxy-3-chloropropane
- U 5897
- α-Monochlorohydrin
- 3-Chloro-1,2-propylene glycol
- 1-Chloro-1-deoxyglycerol
- Epibloc
- Glycerin monochlorohydrin
- Dl-α-Chlorohydrin
- (±)-2,3-Dihydroxychloropropane
- (RS)-α-Chlorohydrin
- (±)-3-Chloro-1,2-propanediol
- (RS)-3-Chloro-1,2-propanediol
- Ekorod A
- 3-Monochloro-1,2-propanediol
Reactions
Work with 3-Mcpd
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,3-Dichloropropan-2-ol96-23-165 % similar
Polyglycerol25618-55-759 % similar
Glycerol56-81-559 % similar
1,2-Butanediol26171-83-545 % similar
1,2,4-Butanetriol3068-00-645 % similar
(2R)-1,2-Butanediol40348-66-145 % similar
(-)-1,2,4-Butanetriol42890-76-645 % similar
1,2-Butanediol584-03-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.