Basic information
- CAS
50528-53-5- Standard SMILES
COc1cccc(OC)c1N=C=O- InChIKey
RZMPHPHMBXRRPB-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 2-Isocyanato-1,3-dimethoxybenzene
- IUPAC
- 2-isocyanato-1,3-dimethoxybenzene
- English name
- 2,6-DIMETHOXYPHENYL ISOCYANATE
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
50528-53-52-isocyanato-1,3-dimethoxybenzene2,6-Dimethoxyphenylisocyanate2,6-dimethoxyphenyl isocyanate2,6-dimethoxybenzenisocyanateSCHEMBL1021667DTXSID10371197TQP0286RZMPHPHMBXRRPB-UHFFFAOYSA-NSBB089528AKOS000167249DB-020225
Show more names
Benzene, 2-isocyanato-1,3-dimethoxy-1,3-Dimethoxy-2-isocyanatobenzene, 2-Isocyanatoresorcinol dimethyl ether
CS-0255038EN300-271034F53505F668279
Database identifiers
- CAS
50528-53-5- PubChem CID
- 2736199
- DTXSID
DTXSID10371197- EC Number
- 179-059-0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 43 °C · 43°C
- Boiling point
- 118 °C · 118°C 1,5mm
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 50528 · 50528-53-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335-EUH204
- Precautionary statements
- 260 · P260-P280-P312
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2206 · 2206
- HS Code
- 2929100090 · 2929100090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 2206
- hs_code
- 2929100090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H335-EUH204
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
西安华诺生物科技有限公司12345678900 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
Loading…