17-Bromoheptadecanoic acid
Basic information
- CAS
13099-35-9- Standard SMILES
O=C(O)CCCCCCCCCCCCCCCCBr- InChIKey
GABSTWMSOFZKEJ-UHFFFAOYSA-N- Molecular formula
- C17H33BrO2
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 348.16639
Names & identifiers
- Preferred name
- 17-Bromoheptadecanoic acid
- IUPAC
- 17-bromoheptadecanoic acid
- English name
- 17-Bromoheptadecanoic acid
- Molecular formula
- C17H33BrO2
- Molecular weight
- 349.35
Names & synonyms
17-Bromoheptadecanoic acid13099-35-9DTXSID40926997EINECS 236-017-7RefChem:79157DTXCID201355800236-017-7MFCD00040782Heptadecanoic acid, 17-bromo-17-Bromoheptadecanecarboxylic acid17-Bromoheptadecanoicacidorb3176228
Show more names
17-Brom-heptadecaneSre17-Brom-heptadecanoicacid17-BROMO-HEPTADECANECARBOXYLIC ACID
SCHEMBL3119100AKOS037644060AS-44270SY071590DB-041997CS-0334519NS00051649A10388
Database identifiers
- CAS
13099-35-9- PubChem CID
- 83135
- DTXSID
DTXSID40926997- EC Number
- 236-017-7
- Nikkaji
- J317.807B
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 72 · 72-74°C
- Boiling point
- 436.2 · 436.2±18.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- solid
- color
- White to off-white
- CAS DataBase Reference
- 13099 · 13099-35-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2915907098 · 2915907098
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
- hs_code
- 2915907098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Suppliers
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Related reactions
2 records
Compound notes
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