trans-1,4-Dibromo-2-butene

HCID 641245

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

821-06-7trans-1,4-Dibromo-2-Butene(E)-1,4-Dibromo-2-butene2-Butene, 1,4-dibromo-, (2E)-trans-1,4-Dibromobut-2-eneDTXSID80249412-BUTENE, 1,4-DIBROMO-, trans-DTXCID804941RefChem:406233212-472-7Dibromobutene1,4-Dibromo-2-butene
Show more names
4-DibroMo-2-butene1,4-Dibromo-1-butene(E)-1,4-Dibromobut-21,4-DIBROMO-2-PENTENE4-dibromo-(e)-2-buten1,4-dibromo-, trans-1,4-Dibromo-2-butene, E4-dibromo-trans-2-buten
(E)-1,4-Dibromobut-2-ene6974-12-5(2E)-1,4-dibromobut-2-ene2-BUTENE, 1,4-DIBROMO-(2E)-1,4-Dibromo-2-buteneTL 80MFCD00000249NSC 23187

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

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Flash Pointgreater than 235 °F (NTP, 1992)
Boiling Point397 °F at 760 mmHg (NTP, 1992)
Melting Point128.1 °F (NTP, 1992)
Physical DescriptionCrystals or white crystalline solid. (NTP, 1992)

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 2 items

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

DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health Hazards · 1 item

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.

Reactive GroupHalogenated Organic Compounds
Reactivity Profile(E)-1,4-DIBROMO-2-BUTENE is incompatible with strong oxidizers and strong bases. (NTP, 1992)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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.

Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek protective clothing is not worn during the handling of this chemical, wear disposable Tyvek sleeves taped to your gloves.

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

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butene, 1,4-dibromo-, (2E)-: ACTIVE

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.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安徽建竹生物科技有限公司15855184105 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

41 records

Compound notes

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