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616-05-7

616-05-7 Structure

616-05-7 Structure
IdentificationMore
[Name]

DL-2-Bromohexanoic acid
[CAS]

616-05-7
[Synonyms]

2-BROMOHEXANOATE
2-BROMOHEXANOIC ACID
2-Bromo-n-caproic acid
2-BROMO-N-HEXANOIC ACID
ALPHA-BROMOHEXANOIC ACID
ALPHA-BROMO-N-CAPROIC ACID
DL-2-BROMOCAPROIC ACID
DL-2-BROMOHEXANOIC ACID
2-bromocaproic
2-bromo-hexanoicaci
alpha-Bromocaproic acid
2-BROMOCAPROIC ACID 97%
2-Bromohexanoicacid,97%
BROMOHEXANOIC ACID
DL-a-Bromocaproic acid
[EINECS(EC#)]

210-461-1
[Molecular Formula]

C6H11BrO2
[MDL Number]

MFCD00004218
[Molecular Weight]

195.05
[MOL File]

616-05-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear light brown to brown liquid
[Melting point ]

4 °C
[Boiling point ]

136-138 °C/18 mmHg (lit.)
[density ]

1.37 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.472(lit.)
[Fp ]

>230 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

alcohol: soluble(lit.)
[form ]

Liquid
[pka]

2.97±0.21(Predicted)
[color ]

Clear light brown to brown
[Optical Rotation]

0.267°(C=0.01g/ml CHCL3)
[Water Solubility ]

soluble
[Merck ]

14,1415
[BRN ]

1721762
[InChI]

1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
[InChIKey]

HZTPKMIMXLTOSK-UHFFFAOYSA-N
[SMILES]

CCCCC(Br)C(O)=O
[CAS DataBase Reference]

616-05-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexanoic acid, 2-bromo-(616-05-7)
[EPA Substance Registry System]

616-05-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H314
[Precautionary statements ]

P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29159000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hexanoic acid
[Preparation Products]

DL-Norleucine-->2-bromohexanamide-->2-{[(propan-2-ylidene)amino]oxy}hexanoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

DL-2-Bromocaproic acid(616-05-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear light brown to brown liquid
[Uses]

2-Bromohexanoic acid was used as an internal standard in the determination of trans,trans-muconic acid (t,t-MA) in urine by GC-MS method.
[General Description]

The reaction of 2-bromohexanoic acid (2-bromocaproic acid) with 6-(5,6-dipentyl-1,2,4-triazin-3-yl)-2,2′-bipyridine and Cm(III) was studied.
Spectrum DetailBack Directory
[Spectrum Detail]

DL-2-Bromohexanoic acid(616-05-7)MS
DL-2-Bromohexanoic acid(616-05-7)1HNMR
DL-2-Bromohexanoic acid(616-05-7)13CNMR
DL-2-Bromohexanoic acid(616-05-7)IR1
DL-2-Bromohexanoic acid(616-05-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-2-Bromohexanoic acid, 97%(616-05-7)
[Alfa Aesar]

2-Bromohexanoic acid, 97%(616-05-7)
[Sigma Aldrich]

616-05-7(sigmaaldrich)
[TCI AMERICA]

2-Bromohexanoic Acid,>98.0%(GC)(T)(616-05-7)
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