Basic information
- CAS
2101-88-4- Standard SMILES
[N-]=[N+]=Nc1ccc(Br)cc1- InChIKey
WHSJSMSBFMDFHK-UHFFFAOYSA-N- Molecular formula
- C6H4BrN3
- Average molar mass
- 198.02 g/mol
- Monoisotopic mass
- 196.95886
Names & identifiers
- Preferred name
- 1-Azido-4-bromobenzene
- IUPAC
- 1-azido-4-bromobenzene
- English name
- 1-Azido-4-bromobenzene
- Molecular formula
- C6H4BrN3
- Molecular weight
- 0
Names & synonyms
1-Azido-4-bromobenzenep-Bromophenyl azideBenzene, 1-azido-4-bromo-4-Bromophenyl azideDTXSID10175218RefChem:227703DTXCID9097709663-402-0WHSJSMSBFMDFHK-UHFFFAOYSA-N2101-88-41-azido-4-bromo-benzenep-Brom-phenylazid
Show more names
1-Bromo-4-azidobenzene4-Bromophenyl azide solution1-Azido-4-broMobenzene solution1-Azido-4-bromobenzene ~0.5M solution in t-butyl methyl ether
4-AzidobromobenzeneCHEMBL3236178SCHEMBL14710977ALBB-032807CAA10188MFCD09281823AKOS009120154AB50568
Database identifiers
- CAS
2101-88-4- PubChem CID
- 75005
- DTXSID
DTXSID10175218- ChEMBL
CHEMBL3236178- EC Number
- 663-402-0
- Nikkaji
- J80.388J
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 145
Physicochemical properties
- Melting point
- 20 °C · 20°C
- Boiling point
- 105 °C · 105 °C(Press: 10 Torr)
- Density
- 1.5827 · 1.5827
- refractive index
- 1.64 · 1.6400 (estimate)
- Flash point
- -33 ℃ · -33℃
- storage temp.
- -20 °C · -20°C
- form
- liquid
- BRN
- 1939308 · 1939308
- InChI
- InChI=1S/C6H4BrN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
- InChIKey
- WHSJSMSBFMDFHK-UHFFFAOYSA-N
- SMILES
- C1(N=[N+]=[N-])=CC=C(Br)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H372
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Danger
H241 (92.9%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H372 (97.6%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
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 42 reports by companies from 4 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
Hazard Classes and CategoriesSelf-react. B (92.9%)；Skin Irrit. 2 (92.9%)；Eye Irrit. 2 (92.9%)；STOT SE 3 (92.9%)；STOT RE 1 (97.6%)
Safety data
- wgk
- 3
- ridadr
- UN 2398 3 / PGII
- risk_code
- 11-38-48/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,T
- safety_code
- 16
Chemistry & industry
Applications
Uses1-Azide-4-bromobenzene is a hydrocarbon derivative used in organic synthesis and scientific research.
Upstream & downstream products
Downstream products
Suppliers17 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
2 records
Compound notes
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