Basic information
- CAS
5211-04-1- Standard SMILES
CC(C)Oc1ccc(N)cc1Cl- InChIKey
YXBDJALKYPUAFT-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.06074168
Names & identifiers
- Preferred name
- 3-Chloro-4-(propan-2-yloxy)aniline
- IUPAC
- 3-chloro-4-propan-2-yloxyaniline
- English name
- (3-chloro-4-isopropoxyphenyl)amine(SALTDATA: 0.85HCl)
- Molecular formula
- C9H12ClNO
- Molecular weight
- 185.65
Names & synonyms
3-chloro-4-(propan-2-yloxy)anilineRefChem:499924853-484-83-chloro-4-isopropoxyaniline5211-04-13-chloro-4-propan-2-yloxyaniline(3-chloro-4-isopropoxyphenyl)amineBenzenamine, 3-chloro-4-(1-methylethoxy)-MFCD081448233-chloro-4-(methylethoxy)phenylamine3-chloro-4-isopropoxy-anilineSCHEMBL2103199
Show more names
3-Chloro-4-(1-methylethoxy)benzenamine(3-chloro-4-isopropoxyphenyl)amine(SALTDATA: 0.85HCl)
DTXSID10424677YXBDJALKYPUAFT-UHFFFAOYSA-NSBB085428STL196540AKOS0001023653-Chloro-4-[(propan-2-yl)oxy]aniline3-Chloro-4-isopropoxyaniline, AldrichCPRDA-48509
Database identifiers
- CAS
5211-04-1- PubChem CID
- 6500394
- DTXSID
DTXSID10424677- EC Number
- 853-484-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 131 · 131-134 °C(Press: 1.75 Torr)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.09 · 5.09±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-Chloro-4-isopropoxy-phenylamine can be used to treat and prevent inflammatory, proliferative, and other kinase-mediated diseases. It can also be used as IgE and/or IgG receptor modulators to treat autoimmune diseases.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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