Basic information
- CAS
20442-97-1- Standard SMILES
COc1ccccc1N=[N+]=[N-]- InChIKey
XBXJQBGKICADKR-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Names & identifiers
- Preferred name
- 1-Azido-2-methoxybenzene
- IUPAC
- 1-azido-2-methoxybenzene
- English name
- 2-Methoxyphenyl azide
- Molecular weight
- 0
Names & synonyms
1-Azido-2-methoxybenzeneAnisole, o-azido-o-AzidoanisoleBenzene, 1-azido-2-methoxy-o-Methoxyphenyl azideDTXSID50341975RefChem:227679DTXCID40293055683-601-6XBXJQBGKICADKR-UHFFFAOYSA-N20442-97-1methoxyphenyl azide
Show more names
2-Methoxyphenyl azide2-Azidoanisole solution1-Azido-2-methoxybenzene solution1-Azido-2-methoxybenzene, 0.5 M in tert-butyl methyl ether
SCHEMBL16329326ALBB-032808AKOS015830668FA183534LS-12259EN300-112612H46558F2157-0473
Database identifiers
- CAS
20442-97-1- PubChem CID
- 577494
- DTXSID
DTXSID50341975- EC Number
- 683-601-6
- Nikkaji
- J113.338A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 82 · 82-84 °C
- Flash point
- -33 ℃ · -33℃
- storage temp.
- -20 °C · -20°C
- form
- liquid
- BRN
- 2091723 · 2091723
- InChI
- 1S/C7H7N3O/c1-11-7-5-3-2-4-6(7)9-10-8/h2-5H,1H3
- InChIKey
- XBXJQBGKICADKR-UHFFFAOYSA-N
- SMILES
- COc1ccccc1N=[N+]=[N-]
- UNSPSC Code
- 12352200 · 12352200
- 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 · 11-38-48/23/24/25
- Safety Statements
- 16 · 16
- RIDADR
- 2398 · UN 2398 3 / PGII
- WGK Germany
- 3 · 3
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT RE 1
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 (95.1%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSelf-react. B (95.1%)
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
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H315-H319-H372
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT RE 1
- Precautionary statements
- P210-P305+P351+P338-P314
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…