Basic information
- CAS
3302-39-4- Standard SMILES
[N-]=[N+]=Nc1ccccc1Br- InChIKey
QOVQEONXPGQIHT-UHFFFAOYSA-N- Molecular formula
- C6H4BrN3
- Average molar mass
- 198.02 g/mol
- Monoisotopic mass
- 196.95886
Names & identifiers
- Preferred name
- 1-Azido-2-bromobenzene
- IUPAC
- 1-azido-2-bromobenzene
- English name
- 1-Azido-2-bromobenzene
- Molecular weight
- 0
Names & synonyms
1-Azido-2-bromobenzeneo-Bromophenyl azide2-Bromophenyl azideBenzene, 1-azido-2-bromo-DTXSID80340017RefChem:227672DTXCID60291098685-730-3QOVQEONXPGQIHT-UHFFFAOYSA-N3302-39-4BromphenylazideSCHEMBL15745923
Show more names
2-Bromophenyl azide solution1-Azido-2-broMobenzene solution
SCHEMBL27722507SCHEMBL29210195DAA30239MFCD11207352AKOS009323661SY197645EN300-90592
Database identifiers
- CAS
3302-39-4- PubChem CID
- 560796
- DTXSID
DTXSID80340017- EC Number
- 685-730-3
- Nikkaji
- J124.284I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 14.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 70 · 70-71 °C(Press: 0.5 Torr)
- Flash point
- -33 ℃ · -33℃
- storage temp.
- -20 °C · -20°C
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H372
- Precautionary statements
- 210 · P210-P305+P351+P338-P314
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-38-39/23/24/25
- Safety Statements
- 16 · 16
- RIDADR
- 2398 · UN 2398 3 / PGII
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H241 (97.4%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P380+P375[+P378], P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSelf-react. B (97.4%)
Safety data
- ridadr
- UN 2398 3 / PGII
- risk_code
- 11-38-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,T
- safety_code
- 16
- Hazard statements
- H225-H315-H319-H372
- Precautionary statements
- P210-P305+P351+P338-P314
Chemistry & industry
Applications
Uses1-Azido-2-bromobenzene is a useful reagent in the preparation of some theophylline derivatives containing 1,2,3-triazole for the potential treatment of non-small cell lung cancer.
Upstream & downstream products
Downstream products
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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