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5-Bromopentanoic acid

5-Bromopentanoic acid structure

CAS No:
2067-33-6
Formula:
C5H9BrO2
Chemical Name:
5-Bromopentanoic acid
Synonyms:
Pentanoic acid,5-bromo-;Valeric acid,5-bromo-;5-Bromopentanoic acid;δ-Bromovaleric acid;5-Bromovaleric acid;1-Bromo-4-carboxybutane;NSC 53507;5-Bromo-1-pentanoic acid
Categories:
Chemical Reagents > Organic Reagents

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Description

yellowish to light brown crystals or cryst. powder

5-Bromopentanoic acid Basic Attributes

Molecular Weight：

181.03

Exact Mass：

181.03

EC Number：

218-185-3

NSC Number：

53507

DSSTox ID：

DTXSID2062163

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

1.4

Appearance：

slightly yellow solid

Density：

1.5±0.1 g/cm3

Melting Point：

38-40 °C

Boiling Point：

142-145 °C @ Press: 15 Torr

Flash Point：

114.4±22.6 °C

Refractive Index：

1.492

Water Solubility：

Soluble in ethanol. Insoluble in water.

Storage Conditions：

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

Vapor Pressure：

0.00264mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN3261

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302 (10.91%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromopentanoic acid Use and Manufacturing

Manufacturing Info：

Pentanoic acid, 5-bromo-: ACTIVE

Computed Properties

Molecular Weight:181.03
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:179.97859
Monoisotopic Mass:179.97859
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:72.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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