Basic information
- CAS
6974-12-5- Standard SMILES
BrC/C=C/CBr- InChIKey
RMXLHIUHKIVPAB-OWOJBTEDSA-N- Molecular formula
- C4H6Br2
- Average molar mass
- 213.9 g/mol
- Monoisotopic mass
- 211.88362439
Overview
Crystals or white crystalline solid. (NTP, 1992)
Names & identifiers
- Preferred name
- trans-1,4-Dibromo-2-butene
- IUPAC
- (E)-1,4-dibromobut-2-ene
- English name
- (E)-1,4-Dibromobut-2-ene
- Molecular formula
- C4H6Br2
- Molecular weight
- 213.9
Names & synonyms
Show more names
Database identifiers
- CAS
6974-12-5、821-06-7- PubChem CID
- 641245
- DTXSID
DTXSID8024941- ChEMBL
CHEMBL1324439- EC Number
- 212-472-7、230-219-9
- Nikkaji
- J55.489H、J7.120J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 34.8
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 48 · 48-51 °C(lit.)
- Boiling point
- 205 °C · 205 °C(lit.)
- Density
- 1.9393 · 1.9393 (estimate)
- refractive index
- 1.5361 · 1.5361 (estimate)
- Flash point
- 113 °C · 113°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Crystals or Crystalline Powder
- color
- colorless to slightly brown
- Water Solubility
- slightly soluble
- BRN
- 1719696 · 1719696
- Stability
- Light Sensitive
- InChI
- 1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
- InChIKey
- RMXLHIUHKIVPAB-OWOJBTEDSA-N
- SMILES
- BrC\C=C\CBr
- CAS DataBase Reference
- 821 · 821-06-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 2 · 2-Butene, 1,4-dibromo-, (E)-(821-06-7)
- EPA Substance Registry System
- 2 · 2-Butene, 1,4-dibromo-, (2E)- (821-06-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H314
- Precautionary statements
- 260 · P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T,C
- Risk Statements
- 25 · 25-34-23/25
- Safety Statements
- 26 · 26-36/37/39-45-28A
- RIDADR
- 2923 · UN 2923 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 4725000 · EM4725000
- F
- 8 · 8-19
- Hazard Note
- Toxic/Corrosive
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29033990 · 29033990
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 OralSkin · Acute Tox. 3 OralSkin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (99.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Cease Manufacture Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13126
2-Butene, 1,4-dibromo-, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include corrosion, vesication and extreme destruction of tissue of the mucous membranes and upper respiratory tract, eyes and skin. Lacrimation may occur. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. Blisters may result from skin contact.
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Safety data
- F
- 8-19
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EM4725000
- ridadr
- UN 2923 8/PG 2
- hs_code
- 29033990
- risk_code
- 25-34-23/25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,C
- hazard_note
- Toxic/Corrosive
- safety_code
- 26-36/37/39-45-28A
- hazard_class
- 6.1(b)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- Hazard statements
- H301-H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralSkin Corr. 1B
- Precautionary statements
- P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses(2E)-1,4-Dibromo-2-butene, is used as a reagent in the preparation of diaminoalkenes though copper-mediated diamination reaction.
General DescriptionCrystals or white crystalline solid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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