Basic information
- CAS
40340-14-5- Standard SMILES
Oc1ccc(N=Cc2ccccc2)cc1- InChIKey
BVTLIIQDQAUXOI-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- 4-Benzylideneaminophenol
- IUPAC
- 4-(benzylideneamino)phenol
- English name
- 4-Benzylideneaminophenol
- Molecular formula
- C13H11NO
- Molecular weight
- 197.23
Names & synonyms
4-Benzylideneaminophenol4-(Benzylideneamino)phenol588-53-4p-Benzalaminophenolp-(Benzylideneamino)phenol4-(Benzalamino)phenolBenzylidene-p-hydroxyanilineBenzylidene-4-hydroxyanilinePHENOL, p-(BENZYLIDENEAMINO)-p-BenzylideneiminophenolN-Benzylidene-p-hydroxyaniline4-[(phenylmethylene)amino]phenol
Show more names
4-BENZALAMINOPHENOLN-benzal-p-hydroxyanilinep-(benzylideneamino)-phenoPARA-BENZYLIDENEAMINOPHENOL
4-Hydroxy-N-benzylideneanilineNSC 15657GT4SC5XWMEINECS 209-620-8N-(4-Hydroxyphenyl)benzylideneimineNSC-1565Phenol, 4-((phenylmethylene)amino)-Phenol, 4-[(phenylmethylene)amino]-
Database identifiers
- CAS
40340-14-5、588-53-4- PubChem CID
- 11501
- DTXSID
DTXSID801031971- ChEMBL
CHEMBL201858- UNII
- 7GT4SC5XWM
- EC Number
- 209-620-8
- Nikkaji
- J21.564C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 376.8 · 376.8±25.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 9.41 · 9.41±0.13(Predicted)
- color
- Light yellow to Brown to Dark green
- InChIKey
- BVTLIIQDQAUXOI-GXDHUFHOSA-N
- FDA UNII
- 7 GT4SC5XWM · 7GT4SC5XWM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- RTECS
- 7650000 · SJ7650000
- HS Code
- 2925.29 · 2925.29.6000
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
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- rtecs
- SJ7650000
- hs_code
- 2925.29.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Suppliers41 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂
Related reactions
3 records
Compound notes
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