Basic information
- CAS
91167-85-0- Standard SMILES
COc1cc(N)c(F)cc1Cl- InChIKey
ZBUDAHCMQUETEO-UHFFFAOYSA-N- Molecular formula
- C7H7ClFNO
- Average molar mass
- 175.59 g/mol
- Monoisotopic mass
- 175.0200197
Names & identifiers
- Preferred name
- 4-Chloro-2-fluoro-5-methoxyaniline
- IUPAC
- 4-chloro-2-fluoro-5-methoxyaniline
- English name
- 4-chloro-2-fluoro-5-MethoxybenzenaMine
- Molecular formula
- C7H7ClFNO
- Molecular weight
- 175.59
Names & synonyms
4-Chloro-2-fluoro-5-methoxyaniline91167-85-0DTXSID30238435RefChem:98362DTXCID50160926892-389-6MFCD17169196Benzenamine, 4-chloro-2-fluoro-5-methoxy-4-chloro-2-fluoro-5-methoxy-anilineSCHEMBL1224878ZBUDAHCMQUETEO-UHFFFAOYSA-NRDA16785
Show more names
AKOS0226392624-chloro-2-fluoro-5-MethoxybenzenaMine4-Chloro-2-fluoro-5-methoxy-phenylaminePS-11704SY527540CS-0370438G86847EN300-2127065
Database identifiers
- CAS
91167-85-0- PubChem CID
- 185082
- DTXSID
DTXSID30238435- EC Number
- 892-389-6
- Nikkaji
- J373.453F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- form
- crystalline powder
- color
- Off white to pale peach
- InChI
- InChI=1S/C7H7ClFNO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,10H2,1H3
- InChIKey
- ZBUDAHCMQUETEO-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(OC)=C(Cl)C=C1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P312
- HS Code
- 2921410090 · 2921410090
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
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, P317, 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
- hs_code
- 2921410090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P312
Chemistry & industry
Suppliers15 total
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
九江市尤利特医药科技有限公司792-3901125 13222993784 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
河南伊诺凯新材料有限公司18836288690 18836288690 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉赢元贝商贸有限公司13349903920 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
17 records
Compound notes
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