Basic information
- CAS
385383-36-8- Standard SMILES
O=C(O)C=Cc1ccc(OCc2ccc(Br)cc2)cc1- InChIKey
FHMDTYSXDYQHMO-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.00481
Names & identifiers
- Preferred name
- 3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic Acid
- IUPAC
- 3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic acid
- English name
- 3-(4-[(4-Bromobenzyl)oxy]phenyl)acrylic acid
- Molecular formula
- C16H13BrO3
- Molecular weight
- 333.18
Names & synonyms
3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic Acid3-{4-[(4-BROMOPHENYL)METHOXY]PHENYL}PROP-2-ENOIC ACIDDTXSID403769983-[4-(4-bromo-benzyloxy)-phenyl]-acrylic acid(E)-3-{4-[(4-bromobenzyl)oxy]phenyl}-2- propenoic acidOTAVA-BB 7020686149RARECHEM AL BK 0869SALOR-INT L134457-1EA3-(4-[(4-Bromobenzyl)oxy]phenyl)acrylic acid(E)-3-(4-((4-bromobenzyl)oxy)phenyl)acrylic acid3-[4-[(4-BROMOPHENYL)METHOXY]PHENYL]-2-PROPENOIC ACID2-PROPENOIC ACID, 3-[4-[(4-BROMOPHENYL)METHOXY]PHENYL]-
Database identifiers
- CAS
385383-36-8- PubChem CID
- 2763530
- DTXSID
DTXSID40376998
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 225 · 225-227°C
- Boiling point
- 498 · 498.0±30.0 °C(Predicted)
- Density
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- pka
- 4.56 · 4.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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