Basic information
- CAS
24900-79-6- Standard SMILES
Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1- InChIKey
OQOCWFFSZSSEDS-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO
- Average molar mass
- 254.11 g/mol
- Monoisotopic mass
- 253.0061193
Names & identifiers
- Preferred name
- 3-Chloro-4-(4-chlorophenoxy)aniline
- IUPAC
- 3-chloro-4-(4-chlorophenoxy)aniline
- English name
- 3-Chloro-4-(4-chlorophenoxy)aniline
- Molecular formula
- C12H9Cl2NO
- Molecular weight
- 254.11
Names & synonyms
3-Chloro-4-(4-chlorophenoxy)anilineBenzenamine, 3-chloro-4-(4-chlorophenoxy)-NSC-151251CL785R3XV33-Chloro-4-(4-chlorophenoxy)benzenamineEINECS 246-519-8NSC-14501DTXSID10179610NSC 1512513-CHLORO-4-P-CHLOROPHENOXYANILINE3-CHLORO-4-(P-CHLOROPHENOXY)PHENYLAMINERefChem:499892
Show more names
TIMTEC-BB SBB0031284-Amino-2,4'-dichlorodiphenyl etherN-[4-(acetylsulfamoyl)-2-benzoylphenyl]acetamide
DTXCID70102101246-519-824900-79-6MFCD00459649Oprea1_787579NSC1512513-chloro-4-(p-chlorophenoxy)-anilineAKOS000100383
Database identifiers
- CAS
24900-79-6- PubChem CID
- 90644
- DTXSID
DTXSID10179610- UNII
- CL785R3XV3
- EC Number
- 246-519-8
- Nikkaji
- J286.418E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 73 · 73-77 °C (lit.)
- Boiling point
- 364.7 · 364.7±37.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.54 · 3.54±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
- InChIKey
- OQOCWFFSZSSEDS-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
- CAS DataBase Reference
- 24900 · 24900-79-6(CAS DataBase Reference)
- FDA UNII
- 785 R3XV3 · CL785R3XV3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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, 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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Chloro-4-(4-chlorophenoxy)aniline is used as a reactant in the synthesis of dual protonophore-chitinase inhibitors.
Upstream & downstream products
Downstream products
Suppliers41 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
5 records
Compound notes
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