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3-Bromopropionic acid

3-Bromopropionic acid structure

CAS No:
590-92-1
Formula:
C3H5BrO2
Chemical Name:
3-Bromopropionic acid
Synonyms:
Propanoic acid,3-bromo-;Propionic acid,3-bromo-;Propionic acid,β-bromo-;3-Bromopropanoic acid;β-Bromopropionic acid;3-Bromopropionic acid;2-Carboxyethyl bromide;β-Bromopropanoic acid;NSC 2638
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to pale yellow or orange crystalline

3-Bromopropionic acid Basic Attributes

Molecular Weight：

152.975

Exact Mass：

152.97

EC Number：

209-694-1

UNII：

WFZ7CSR69R

NSC Number：

2638

DSSTox ID：

DTXSID9060443

Color/Form：

PLATES FROM CARBON TETRACHLORIDE

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

0.69

Density：

1.48 g/cm³

Melting Point：

62.5 °C

Boiling Point：

140-142 °C @ Press: 45 Torr

Flash Point：

65.6±0.0 °C

Refractive Index：

1.500

Water Solubility：

0.1 g/mL

Dissociation Constants：

9.8X10-5 @ 25 °C

Experimental Properties：

AQ ALKALIES HYDROLYZE BETA-BROMOPROPIONIC ACID TO HYDRACRYLIC ACID

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

R11;R34

safety instructions：

S26-S36/37/39-S45

RTECS Number：

UE7875000

Marks：

F:Flammable;C:Corrosive;

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (15.09%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 53 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

Toxicity

Interactions：

3-BROMOPROPIONIC ACID ADMIN TO SKIN OF ALBINO MICE, 0.2 ML, 0.3% IN ACETONE TIMES 24 FOR 365 DAYS, PROMOTION WITH CROTON OIL, 0.2 ML, 0.3% IN ACETONE, 20 WK PRODUCED 78/20 PAPILLOMAS; 10/20 PAPILLOMAS IN CONTROLS /FROM TABLE/

Drug Information

Metabolism/Metabolites：

3-BROMOPROPIONIC ACID WAS ISOLATED FROM THE URINE OF RATS TREATED WITH 1-BROMOPROPANE.

MeSH Entry Terms：

3-bromopropionic acid

3-Bromopropionic acid Use and Manufacturing

Methods of Manufacturing

PREPD BY THE ACTION OF HYDROBROMIC ACID ON ACRYLIC ACID, ON HYDRACRYLIC ACID, & ON ETHYLENE CYANOHYDRIN: KENDALL, MCKENZIE, ORG SYN 3: 25 (1923).|PROBABLY BY REACTION OF HYDROBROMIC ACID WITH ACRYLIC ACID

Uses

CHEMICAL INTERMEDIATE|RESEARCH CHEMICAL

Production

(1979) No Data|(1981) No Data

Manufacturing Info：

Propanoic acid, 3-bromo-: ACTIVE

Computed Properties

Molecular Weight:152.97
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:151.94729
Monoisotopic Mass:151.94729
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:52.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylic acid

Downstream Products

Acrylic acid

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CAS No.: 590-92-1

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