Basic information
- CAS
5976-47-6- Standard SMILES
C=C(Cl)CO- InChIKey
OSCXYTRISGREIM-UHFFFAOYSA-N- Molecular formula
- C3H5ClO
- Average molar mass
- 92.52 g/mol
- Monoisotopic mass
- 92.0028925
Names & identifiers
- Preferred name
- 2-Chloro-2-propen-1-ol
- IUPAC
- 2-chloroprop-2-en-1-ol
- English name
- 2-Chloro-2-propen-1-ol
- Molecular formula
- C3H5ClO
- Molecular weight
- 92.52
Names & synonyms
2-Chloro-2-propen-1-ol5976-47-62-Chloroallyl alcohol2-Chloro-2-propenolbeta-Chloroallyl alcoholV60IX5IR932-chloroallylalcoholNSC-87536NSC-508743DTXSID2073984RefChem:86155DTXCID3042687
Show more names
1-chloro-2-propenol2-Chloropropene-3-ol2-chloro-2-propen-1-o2-Chloro-1-propene-3-ol2-chloro-prop-2-en-1-olbeta-chloroallylalcohol
611-879-02-chloroprop-2-en-1-ol2-Chloropropenol2-Propen-1-ol, 2-chloro-.beta.-Chloroallyl alcoholMFCD00004701NSC 87536NSC 508743
Database identifiers
- CAS
5976-47-6- PubChem CID
- 80076
- DTXSID
DTXSID2073984- UNII
- V60IX5IR93
- EC Number
- 611-879-0
- Nikkaji
- J51.039D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.2
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 133 · 133-134 °C (lit.)
- Density
- 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.459(lit.)
- Flash point
- 130 °F · 130 °F
- pka
- 11.45 · 11.45±0.10(Predicted)
- form
- liquid
- color
- Clear, light yellow/brown
- InChI
- InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2
- InChIKey
- OSCXYTRISGREIM-UHFFFAOYSA-N
- SMILES
- C(O)C(Cl)=C
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 60 IX5IR93 · V60IX5IR93
- EPA Substance Registry System
- 2 · 2-Chloro-2-propen-1-ol (5976-47-6)
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
Warning
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (98.6%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- UD4725000
- ridadr
- UN 2920 8/PG 2
- hs_code
- 2905599890
- risk_code
- 10-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 16-26-27-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302+H312+H332
Chemistry & industry
Applications
Uses2-Chloro-2-propen-1-ol (2-chloropropenol) may be employed as carbon supplement for the growth of Pseudomonas strains. It may be used in the preparation of 2-(4-octylphenyl)prop-2-en-1-ol.
General Description2-Chloro-2-propen-1-ol is reported to undergo photodissociation at 193nm to generate CH2CCH2OH radical intermediate. 2-Chloro-2-propen-1-ol is formed as major product during base mediated reaction of 1,2,3-trichloropropane. 2-Chloro-2-propen-1-ol is reported to react with phosphorus trichloride to yield phosphorous esters, while with phosphory chloride it yields phosphoric ester.
Upstream & downstream products
Downstream products
Suppliers43 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
9 records
Compound notes
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