Basic information
- CAS
72338-49-9- Standard SMILES
COC(=O)CCCCCCCCCCCCCCCCBr- InChIKey
XSHXLJQWLPXKRC-UHFFFAOYSA-N- Molecular formula
- C18H35BrO2
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 362.18204
Names & identifiers
- Preferred name
- Methyl 17-bromoheptadecanoate
- IUPAC
- methyl 17-bromoheptadecanoate
- English name
- 17-BROMOHEPTADECANOIC ACID-METHYL ESTER
- Molecular formula
- C18H35BrO2
- Molecular weight
- 363.37
Names & synonyms
Methyl 17-bromoheptadecanoate72338-49-9DTXSID60339166RefChem:353484DTXCID60290248XSHXLJQWLPXKRC-UHFFFAOYSA-N17-BROMOHEPTADECANOICACID-METHYLESTER17-BROMOHEPTADECANECARBOXYLIC ACID METHYL ESTERHeptadecanoic acid,17-bromo-, methyl ester17-bromo-heptadecanecarboxylic acid-methyl esterMFCD0004077017-bromoheptadecanoic acid-methyl ester
Show more names
17-Brom-heptadecaneSremethylester17-Brom-heptadecanoicacidmethylesterHeptadecanoic acid, 17-bromo-, methyl ester
orb3176496SCHEMBL31049880AKOS030229303AS-44271CS-0455191A10389
Database identifiers
- CAS
72338-49-9- PubChem CID
- 554155
- DTXSID
DTXSID60339166
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 47 · 47-49°C
- Boiling point
- 212 °C · 212 °C(Press: 2.5 Torr)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- form
- solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- 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-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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