Basic information
- Standard SMILES
CCC(Br)CBr- InChIKey
CZWSZZHGSNZRMW-UHFFFAOYSA-N- Molecular formula
- C4H8Br2
- Average molar mass
- 215.91 g/mol
- Monoisotopic mass
- 213.89928
Names & identifiers
- Preferred name
- 1,2-Dibromobutane
- IUPAC
- 1,2-dibromobutane
- English name
- 1,2-Dibromobutane
- Molecular formula
- C4H8Br2
- Molecular weight
- 215.91
Names & synonyms
1,2-DIBROMOBUTANE533-98-2Butane, 1,2-dibromo-alpha-Butylene dibromide.alpha.-Butylene dibromide8471F50VJINSC 6181UNII-8471F50VJINSC-6181EINECS 208-581-4AI3-14677DTXSID90870592
Show more names
1,2-Dibrombutan1,2-Dibomobutane1,2-dibromo-butanα-butylenedibromidebutane,1,2-dibromo-1,2-Dibromobutane98%1,2-BUTYLENE BROMIDEA-BUTYLENE DIBROMIDE1,2-Dibromobutane,97%
.alpha.-Butylene bromide.ALPHA.-BUTYLENE DIBROMIDE [MI]alpha-Butylene bromide1,2DibromobutaneButane, 1,2dibromoRefChem:71827DTXCID60818300(+-)-1,2-DIBROMOBUTANE
Database identifiers
- CAS
533-98-2- PubChem CID
- 10792
- DTXSID
DTXSID90870592- UNII
- 8471F50VJI
- EC Number
- 208-581-4
- Nikkaji
- J417K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Experimental & physicochemical properties
Vapor Pressure3.1 [mmHg]
Physical DescriptionYellowish liquid; [Merck Index] Colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
944；946；946.2
943；960
Physicochemical properties
- Melting point
- -65 °C · -65°C
- Boiling point
- 59 · 59-60 °C/20 mmHg (lit.)
- Density
- 1.789 g/mL · 1.789 g/mL at 25 °C (lit.)
- refractive index
- 1.513 · 1.513-1.515
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- alcohol: miscible(lit.)
- form
- clear liquid
- color
- Colorless to Light yellow
- Merck
- 14 · 14,1566
- BRN
- 1731380 · 1731380
- InChI
- InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
- InChIKey
- CZWSZZHGSNZRMW-UHFFFAOYSA-N
- SMILES
- C(Br)C(Br)CC
- CAS DataBase Reference
- 533 · 533-98-2(CAS DataBase Reference)
- FDA UNII
- 8471 F50VJI · 8471F50VJI
- NIST Chemistry Reference
- 1 · Butane, 1,2-dibromo-(533-98-2)
- EPA Substance Registry System
- 1 · Butane, 1,2-dibromo- (533-98-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/38-36/37/38-20/21/22
- Safety Statements
- 37 · 37/39-26
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29033919 · 29033919
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 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 SummaryA skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See 2-Bromobutane and 1-Bromopropane.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (97.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29033919
- risk_code
- 36/38-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1,2-dibromo-: ACTIVE
Applications
UsesMechanism of Co(II) (N,N′-disalicylidene-ethylenediamine) catalyzed reduction of 1,2-dibromobutane in DMF has been investigated by microelectrode voltammetry.
General DescriptionMechanism of Co(II) (N,N′-disalicylidene-ethylenediamine) catalyzed reduction of 1,2-dibromobutane in DMF has been investigated by microelectrode voltammetry.
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