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5-Bromovaleronitrile

5-Bromovaleronitrile structure

CAS No:
5414-21-1
Formula:
C5H8BrN
Chemical Name:
5-Bromovaleronitrile
Synonyms:
Pentanenitrile,5-bromo-;Valeronitrile,5-bromo-;5-Bromopentanenitrile;5-Bromovaleronitrile;1-Cyano-4-bromobutane;δ-Bromovaleronitrile;1-Bromo-4-cyanobutane;NSC 8032;4-Cyanobutyl bromide
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

5-Bromovaleronitrile Basic Attributes

Molecular Weight：

162.03

Exact Mass：

162.03

BRN：

1742080

EC Number：

226-505-8

NSC Number：

8032

DSSTox ID：

DTXSID60202487

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

1.4

Density：

1.3989 g/cm³ @ Temp: 20 °C

Boiling Point：

110-111 °C @ Press: 11 Torr

Flash Point：

>230 °F

Refractive Index：

1.471

Water Solubility：

Slightly soluble in water (4.1 g/L at 25°C).

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:162.03
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:160.98401
Monoisotopic Mass:160.98401
Topological Polar Surface Area:23.8
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 5-Bromovaleronitrile

Shandong Airuike Chemical Co., Ltd. Contact Supplier

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5-BROMOVALERONITRILE 99% powder QSJ-5414-21-1

CAS No.: 5414-21-1

Grade: Pharmaceutical Grade

Content: 0%

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PROVCHEM Contact Supplier

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1 YR

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Bromovaleronitrile,CAS 5414-21-1

CAS No.: 5414-21-1

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