Basic information
- CAS
622-79-7- Standard SMILES
[N-]=[N+]=NCc1ccccc1- InChIKey
UDLLFLQFQMACJB-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399722
Names & identifiers
- Preferred name
- Benzyl azide
- IUPAC
- azidomethylbenzene
- English name
- Benzyl azide
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
Benzyl azide(Azidomethyl)benzene622-79-7BenzylazideBenzene, (azidomethyl)-alpha-AzidotolueneToluene, .alpha.-azido-.alpha.-AzidotolueneNSC 26304CCRIS 8029UNII-HFD57Z7J9JTOLUENE, alpha-AZIDO-
Show more names
triazotolueneα-AzidotolueneBenzylazide 98%Benzylazide,94%alpha-azido-toluenBenzyl azide (BEA)
HFD57Z7J9JBRN 1907583Toluene, alpha-triazo-NSC-26304DTXSID902112444-05-00-00877 (Beilstein Handbook Reference)RefChem:118856DTXCID90133735
Database identifiers
- CAS
622-79-7- PubChem CID
- 12152
- DTXSID
DTXSID90211244- ChEMBL
CHEMBL3236190- UNII
- HFD57Z7J9J
- EC Number
- 680-691-9
- Nikkaji
- J54.457D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 14.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 157 ℃ · 157℃
- Boiling point
- 81 · 81-83°C 16mm
- Density
- 1.0655 · 1.0655
- refractive index
- 1.5341 · 1.5341
- RTECS
- 6650000 · XS6650000
- Flash point
- 82 · 82-85°C/16mm
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 1.0655 · 1.0655
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Insoluble in waterMiscible with ethanol and diethyl ether. Immiscible with water.
- BRN
- 636825 · 636825
- InChI
- InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- UDLLFLQFQMACJB-UHFFFAOYSA-N
- SMILES
- C1(CN=[N+]=[N-])=CC=CC=C1
- CAS DataBase Reference
- 622 · 622-79-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 57 Z7J9J · HFD57Z7J9J
- UNSPSC Code
- 12352125 · 12352125
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H336-H351-H373
- Precautionary statements
- 201 · P201-P302+P352-P305+P351+P338-P308+P313
- target organs
- Central nervous system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 2 · 2-11-48/20/21/22-40
- Safety Statements
- 15 · 15-17-33-36/37
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29299090 · 29299090
- Storage Class
- 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- 2 Eye · Carc. 2Eye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P302+P352, P303+P361+P353, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380+P375[+P378], P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29299090
- risk_code
- 2-11-48/20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 15-17-33-36/37
- hazard_class
- 3
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- packing_group
- III
- target organs
- Central nervous system
- Hazard statements
- H315-H319-H336-H351-H373
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Carc. 2Eye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
- Precautionary statements
- P201-P302+P352-P305+P351+P338-P308+P313
Chemistry & industry
Applications
UsesBenzyl azide is used in the synthesis of 1,2,3-triazole derivatives. It serves as a reagent used to introduce a PhCH2N group into a molecule.
UsesBENZYL AZIDE was used in the synthesis of stable 1,2,3-triazole derivatives.
General DescriptionBenzyl azide is an aromatic azide generally used in copper(I)-catalyzed azide-alkyne cycloaddition reactions.
Upstream & downstream products
Downstream products
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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Related reactions
155 records
Compound notes
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