Basic information
- CAS
497-04-1- Standard SMILES
OCC(Cl)CO- InChIKey
DYPJJAAKPQKWTM-UHFFFAOYSA-N- Molecular formula
- C3H7ClO2
- Average molar mass
- 110.54 g/mol
- Monoisotopic mass
- 110.0134572
Overview
2-chloro-1,3-propanediol is a colorless liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- Glycerol beta-chlorohydrin
- IUPAC
- 2-chloropropane-1,3-diol
- English name
- 2-chloropropane-1,3-diol
- Molecular formula
- C3H7ClO2
- Molecular weight
- 110.54
Names & synonyms
2-CHLORO-1,3-PROPANEDIOL2-Chloropropane-1,3-diol497-04-11,3-Propanediol, 2-chloro-Glycerol beta-chlorohydrin2-Chloro-1,3-dihydroxypropaneEINECS 207-834-6N6ZZ93MWJ4J6.100JDTXSID7073191GLYCEROL .BETA.-CHLOROHYDRINRefChem:663452
Show more names
2-Chloro-1,3-propanediol-13C32-Chlorpropan-1,3-diolGuaifenesin Impurity 9Epichlorohydrin Impurity 4
DTXCID4040717GLYCEROL BETA-MONOCHLOROHYDRIN207-834-62-MCPDMFCD016981272-Chloro-1,3-propandiol1,3-Propanediol,2-chloro-2-monochloropropanediol
Database identifiers
- CAS
497-04-1- PubChem CID
- 10337
- DTXSID
DTXSID7073191- UNII
- N6ZZ93MWJ4
- EC Number
- 207-834-6
- Nikkaji
- J6.100J
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Density1.3219 at 68 °F (NTP, 1992) - Denser than water; will sink
SolubilitySoluble (NTP, 1992)
Boiling Point295 °F at 18 mmHg (NTP, 1992)
Physical Description2-chloro-1,3-propanediol is a colorless liquid. (NTP, 1992)
Physicochemical properties
- Boiling point
- 146 ℃ · 146℃ (18 Torr)
- Density
- 1.3219 · 1.3219
- refractive index
- 1.4831 · 1.4831 (589.3 nm 20℃)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 13.57 · 13.57±0.10(Predicted)
- form
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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
Regulatory InformationRegulation (EC) No 178/2002 (amended)
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include eye and nasal irritation, nausea, vomiting, giddiness, dizziness, incoordination, and coma.
Reactive GroupAlcohols and Polyols
Reactivity Profile
A halogenated alcohol. Many alcohols are flammable. Polyols are generally combustible, but their generally low volatility means that they are poorly flammable. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsHygroscopic. Water soluble (NTP, 1992).
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Applications
UsesA metabolite of Dichloropropanols
General DescriptionColorless liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers84 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
1 records
Compound notes
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