Basic information
- CAS
2623-95-2- Standard SMILES
CCCCCCCCC(Br)C(=O)O- InChIKey
KNLOTZNPRIFUAR-UHFFFAOYSA-N- Molecular formula
- C10H19BrO2
- Average molar mass
- 251.16 g/mol
- Monoisotopic mass
- 250.05684
Names & identifiers
- Preferred name
- 2-Bromodecanoic acid
- IUPAC
- 2-bromodecanoic acid
- English name
- 2-BROMODECANOIC ACID
- Molecular formula
- C10H19BrO2
- Molecular weight
- 251.16
Names & synonyms
2-Bromodecanoic acid2623-95-2Decanoic acid, 2-bromo-2-Bromocapric acidNSC 99841alpha-Bromocapric acidalpha-bromodecanoic acidEINECS 220-086-5CHEBI:72820DTXSID20870989RefChem:467239DTXCID80818665
Show more names
BROMODECANOIC ACIDA-BROMOCAPRIC ACID2-bromo-decanoicaciA-BROMODECANOIC ACID
220-086-52-Bromocapricacid2-bromo-decanoic acid.alpha.-Bromocapric acidSCHEMBL2718852NSC99841LMFA01090003MFCD00014335
Database identifiers
- CAS
2623-95-2- PubChem CID
- 98310
- DTXSID
DTXSID20870989- ChEBI
CHEBI:72820- EC Number
- 220-086-5
- Nikkaji
- J192.136C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 2 °C · 2°C
- Boiling point
- 116 · 116-118 °C0.05 mm Hg(lit.)
- Density
- 1.21 g/mL · 1.21 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.471
- pka
- 2.98 · 2.98±0.21(Predicted)
- BRN
- 1767667 · 1767667
- EPA Substance Registry System
- 2 · 2-Bromodecanoic acid (2623-95-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 8 · 8-10
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- F
- 8-10
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, 2-bromo-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
烟台盛凯伦化学科技有限公司
Related reactions
7 records
Compound notes
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