Basic information
- Standard SMILES
C=C(Br)CBr- InChIKey
YMFWYDYJHRGGPF-UHFFFAOYSA-N- Molecular formula
- C3H4Br2
- Average molar mass
- 199.87 g/mol
- Monoisotopic mass
- 197.86798
Names & identifiers
- Preferred name
- 2,3-Dibromopropene
- IUPAC
- 2,3-dibromoprop-1-ene
- English name
- 2,3-Dibromopropene
- Molecular formula
- C3H4Br2
- Molecular weight
- 199.87
Names & synonyms
2,3-Dibromopropene513-31-52,3-DIBROMO-1-PROPENE1-Propene, 2,3-dibromo-2-Bromoallyl bromide2,3-Dibromopropylene1,2-Dibromo-2-propenePropene, 2,3-dibromo-alpha-Epidibromohydrin8DNE7K7Z6PNSC-6200DTXSID9060152
Show more names
DibroMopropene-Bromoallylbromideα-epidibromohydrin2,3-dibromo-1-propen
RefChem:441990DTXCID2040995208-155-82,3-dibromoprop-1-ene.alpha.-EpidibromohydrinMFCD000002112,3-dibromo-prop-1-ene2,3-Dibromopropene, stab. with copper
Database identifiers
- CAS
513-31-5- PubChem CID
- 10552
- DTXSID
DTXSID9060152- UNII
- 8DNE7K7Z6P
- EC Number
- 208-155-8
- Nikkaji
- J2.618B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 40
Experimental & physicochemical properties
Vapor Pressure7.58 [mmHg]
Physical DescriptionLiquid; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index852.8；852
Physicochemical properties
- Boiling point
- 42 · 42-44 °C17 mm Hg(lit.)
- Density
- 1.934 g/mL · 1.934 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 178 °F · 178 °F
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- form
- Liquid
- color
- Clear light yellow to brown
- Water Solubility
- insoluble
- Sensitive
- Moisture Sensitive
- Merck
- 14 · 14,3025
- BRN
- 878169 · 878169
- InChI
- 1S/C3H4Br2/c1-3(5)2-4/h1-2H2
- InChIKey
- YMFWYDYJHRGGPF-UHFFFAOYSA-N
- SMILES
- BrCC(Br)=C
- CAS DataBase Reference
- 513 · 513-31-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 DNE7K7Z6P · 8DNE7K7Z6P
- NIST Chemistry Reference
- 1 · 1-Propene, 2,3-dibromo-(513-31-5)
- EPA Substance Registry System
- 1 · 1-Propene, 2,3-dibromo- (513-31-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H332-H318
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P304+P340+P312-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/22-41-36/37/38
- Safety Statements
- 26 · 26-39-37/39
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 8200000 · UC8200000
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29033036 · 29033036
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 InhalationAcute · Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (93.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] An irritant that may cause serious eye injury; A lachrymator; Harmful by ingestion and inhalation; [Sigma-Aldrich MSDS] See 2-Bromo-1-propene, 1-Bromo-1-propene, and Allyl bromide.
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)；Skin Irrit. 2 (13%)；Eye Dam. 1 (93.5%)；Acute Tox. 4 (89.1%)；STOT SE 3 (10.9%)
Toxicology
Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UC8200000
- ridadr
- 2810
- hs_code
- 29033036
- risk_code
- 20/22-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302+H332-H318
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P261-P264-P280-P301+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propene, 2,3-dibromo-: ACTIVE
Applications
Uses2,3-Dibromopropene was used to test 2- and 3-carbon halogenated hydrocarbons for mutagenicity for Salmonella typhimurium strain TA 100 . It was used in the synthesis of N(Boc)-L-(2-Bromoallyl)-glycine.
General Description2,3-Dibromopropene is an intermediate formed during the hydrolysis of nematocide:1,2-dibromo-3-chloropropane.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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