Basic information
- Standard SMILES
C=C(C)Br- InChIKey
PHMRPWPDDRGGGF-UHFFFAOYSA-N- Molecular formula
- C3H5Br
- Average molar mass
- 120.98 g/mol
- Monoisotopic mass
- 119.95746226
Names & identifiers
- Preferred name
- 2-Bromopropene
- IUPAC
- 2-bromoprop-1-ene
- English name
- 2-Bromopropene
- Molecular formula
- C3H5Br
- Molecular weight
- 120.98
Names & synonyms
Show more names
Database identifiers
- CAS
557-93-7- PubChem CID
- 11202
- DTXSID
DTXSID8060325- UNII
- C8GT7P5ZZS
- EC Number
- 209-185-4
- Nikkaji
- J2.664F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 30.3
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -87 °C · -87°C
- Boiling point
- 47 · 47-49 °C (lit.)
- Density
- 1.362 g/mL · 1.362 g/mL at 25 °C (lit.)
- vapor pressure
- 5.05 psi · 5.05 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.4436(lit.)
- Flash point
- 40 °F · 40 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless to yellow
- Water Solubility
- Immiscible with water.
- Sensitive
- Light Sensitive
- BRN
- 1731926 · 1731926
- Stability
- Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C3H5Br/c1-3(2)4/h1H2,2H3
- InChIKey
- PHMRPWPDDRGGGF-UHFFFAOYSA-N
- SMILES
- CC(Br)=C
- LogP
- 2.07 · 2.07
- CAS DataBase Reference
- 557 · 557-93-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 GT7P5ZZS · C8GT7P5ZZS
- EPA Substance Registry System
- 1 · 1-Propene, 2-bromo- (557-93-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 23 · 23-26-36-37/39-16
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 7085000 · UC7085000
- F
- 8 · 8-10
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29033990 · 29033990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Toxicology
Safety data
- F
- 8-10
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UC7085000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29033990
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 23-26-36-37/39-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses2-Bromopropene is used as a solvent and as an intermediate for organic synthesis. It is also used as a fumigant. Further, it reacts with nonanal to prepare 2-methyl-undec-1-en-3-ol using chromium(II) chloride as a reagent. It is utilized as a refrigerant used in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
Loading…