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3-Bromopropionitrile

3-Bromopropionitrile structure

CAS No:
2417-90-5
Formula:
C3H4BrN
Chemical Name:
3-Bromopropionitrile
Synonyms:
Propanenitrile,3-bromo-;Propionitrile,3-bromo-;3-Bromopropanenitrile;β-Bromopropionitrile;3-Bromopropionitrile;1-Bromo-2-cyanoethane;2-Bromoethyl cyanide;2-Cyanoethyl bromide;NSC 8021
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

3-Bromopropionitrile Basic Attributes

Molecular Weight：

133.976

Exact Mass：

133.97

EC Number：

219-332-4

UNII：

6EP8MS6M7U

NSC Number：

8021

DSSTox ID：

DTXSID0062397

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

0.53

Appearance：

clear colorless to light yellow liquid

Density：

1.6152 g/cm³ @ Temp: 20 °C

Boiling Point：

92 °C @ Press: 25 Torr

Flash Point：

97.2±0.0 °C

Refractive Index：

1.470

Vapor Pressure：

0.317mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 2

wgk germany：

hazard class code：

R25;R38

safety instructions：

S26-S36/37-S45

RTECS Number：

UG1050000

Marks：

T:Toxic;

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H301 + H311 + H331-H315-H319-H335

GHS Classification：

|Danger|H300 (13.04%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromopropionitrile Use and Manufacturing

Manufacturing Info：

Propanenitrile, 3-bromo-: ACTIVE

Computed Properties

Molecular Weight:133.97
XLogP3:0.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:132.95271
Monoisotopic Mass:132.95271
Topological Polar Surface Area:23.8
Heavy Atom Count:5
Complexity:51.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

Benzene

Downstream Products

Acrylonitrile

Recommended Suppliers of 3-Bromopropionitrile

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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3-BROMOPROPIONITRILE CAS NO 2417-90-5

CAS No.: 2417-90-5

Grade: Pharmaceutical Grade

Content: 99%

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Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

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high quality 3-Bromopropionitrile 99% transparent liquid KANBEI

CAS No.: 2417-90-5

Grade: Industrial Grade

Content: 99%

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