Basic information
- CAS
59404-86-3- Standard SMILES
Nc1ccc(OCc2ccccc2)c(Cl)c1- InChIKey
WOWKZTBVWKKGJV-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.06074168
Names & identifiers
- Preferred name
- 4-Benzyloxy-3-chloroaniline
- IUPAC
- 3-chloro-4-phenylmethoxyaniline
- English name
- 4-Benzyloxy-3-chloroaniline 96
- Molecular formula
- C13H12ClNO
- Molecular weight
- 233.69
Names & synonyms
4-Benzyloxy-3-chloroaniline59404-86-3DTXSID10361497RefChem:290346DTXCID70312546626-695-64-(Benzyloxy)-3-chloroaniline3-chloro-4-phenylmethoxyanilineMFCD03427265Lapatinib Impurity 143-chloro-4-benzyloxy-aniline4-benzyloxy-3-chloro-aniline
Show more names
Lapatinib impurity C3-Chloro-4-(benzyloxy)-aniline4-Benzyloxy-3-chloroaniline 964-Benzyloxy-3-chloroaniline 95%4-(benzyloxy)-3-chlorobenzenamineBenzenaMine, 3-chloro-4-(phenylMethoxy)-
SCHEMBL632895782X4CP5AY4-Benzyloxy-3-chloro-phenylamineWOWKZTBVWKKGJV-UHFFFAOYSA-N4-Benzyloxy-3-chloroaniline, 95%SBB0032564-BENZYLOXY-3-CHLOROANILINE?3-Chloro-4-(phenylmethoxy)benzenamine
Database identifiers
- CAS
59404-86-3- PubChem CID
- 1268285
- DTXSID
DTXSID10361497- UNII
- 782X4CP5AY
- EC Number
- 626-695-6
- Nikkaji
- J1.859.980E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 56 · 56-60 °C (lit.)
- Boiling point
- 390.6 · 390.6±27.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 4.1 · 4.10±0.10(Predicted)
- form
- solid
- InChI
- 1S/C13H12ClNO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
- InChIKey
- WOWKZTBVWKKGJV-UHFFFAOYSA-N
- SMILES
- Nc1ccc(OCc2ccccc2)c(Cl)c1
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Benzyloxy-3-chloroaniline is a compound used in the preparation of potent and selective inhibitors for UBLCP1 proteasome phosphatase.
Suppliers24 total
山东普创医药科技有限公司18953403321 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Related reactions
48 records
Compound notes
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