Basic information
- CAS
3296-05-7- Standard SMILES
[N-]=[N+]=Nc1ccc(Cl)cc1- InChIKey
HZVGOEUGZJFTNN-UHFFFAOYSA-N- Molecular formula
- C6H4ClN3
- Average molar mass
- 153.57 g/mol
- Monoisotopic mass
- 153.00937481
Names & identifiers
- Preferred name
- Benzene, 1-azido-4-chloro-
- IUPAC
- 1-azido-4-chlorobenzene
- English name
- 1-Azido-4-chlorobenzene solution
- Molecular formula
- C6H4ClN3
- Molecular weight
- 153.56906
Names & synonyms
1-Azido-4-chlorobenzene3296-05-7Benzene, 1-azido-4-chloro-DTXSID60186612RefChem:562403DTXCID00109103685-976-1MFCD008695804-Chlorophenylazidep-chlorophenyl azide4-Chlorophenyl azide1-azido-4-chloro-benzene
Show more names
1-Azido-4-chlorobenzene solution1-Azido-4-chlorobenzene solution ~0.5 M in tert-butyl methyl ether, >=95.0% (HPLC)
SCHEMBL13653944ALBB-032801AKOS009325427BS-13268SY179672EN300-49935H46551F2157-0478
Database identifiers
- CAS
3296-05-7- PubChem CID
- 76803
- DTXSID
DTXSID60186612- EC Number
- 685-976-1
- Nikkaji
- J414.035D
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 252.42 °C · 252.42°C (rough estimate)
- Density
- 1.2634 · 1.2634
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- -30 ℃ · -30℃
- storage temp.
- -20 °C · -20°C
- form
- liquid
- BRN
- 1210408 · 1210408
- InChI
- 1S/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
- InChIKey
- HZVGOEUGZJFTNN-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)N=[N+]=[N-]
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H315
- Precautionary statements
- 210 · P210
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2398 3 / PGII
- risk_code
- 11-22-38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302-H315
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2Skin Irrit. 2
- Precautionary statements
- P210
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
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]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海研纷生化科技有限公司17721070236 13611955358 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
Related reactions
4 records
Compound notes
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