Basic information
- CAS
2101-87-3- Standard SMILES
COc1ccc(N=[N+]=[N-])cc1- InChIKey
PPKDSHDYUBDVKL-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891184
Names & identifiers
- Preferred name
- 1-Azido-4-methoxybenzene
- IUPAC
- 1-azido-4-methoxybenzene
- English name
- 4-METHOXYPHENYLAZIDE
- Molecular weight
- 0
Names & synonyms
1-Azido-4-methoxybenzene4-Methoxyphenyl azideAnisole, p-azido-Benzene, 1-azido-4-methoxy-p-Methoxyphenyl azidep-AzidoanisoleDTXSID50175217RefChem:227709DTXCID4097708861-804-2PPKDSHDYUBDVKL-UHFFFAOYSA-N2101-87-3
Show more names
4-Azidoanisolep-Anisyl azide4-METHOXYPHENYLAZIDE4-Azidoanisole solution4-Methoxy-1-azidobenzeneMethyl 4-azidophenyl ether4-Azidoanisole solution ~0.5 M in tert-butyl methyl ether, >=90.0% (HPLC)
1-azido-4-methoxy-benzeneCHEMBL3236175SCHEMBL13449657MFCD00869579AKOS015830673EN300-112654
Database identifiers
- CAS
2101-87-3- PubChem CID
- 75004
- DTXSID
DTXSID50175217- ChEMBL
CHEMBL3236175- EC Number
- 861-804-2
- Nikkaji
- J113.339J
Properties
Computed structural properties
- XLogP
- 3
- 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
- 157
Physicochemical properties
- Melting point
- 36 °C · 36 °C
- Flash point
- -30 ℃ · -30℃
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Light Brown to Brown
- BRN
- 3609304 · 3609304
- InChI
- 1S/C7H7N3O/c1-11-7-4-2-6(3-5-7)9-10-8/h2-5H,1H3
- InChIKey
- PPKDSHDYUBDVKL-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)N=[N+]=[N-]
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H317
- Precautionary statements
- 210 · P210-P280
- Hazard Codes
- F,Xi
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 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- 3
- ridadr
- UN 2398 3 / PGII
- risk_code
- 11-38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H315-H317
- Hazard Classifications
- Flam. Liq. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P210-P280
Chemistry & industry
Suppliers9 total
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]
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]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
7 records
Compound notes
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