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16505

Methyl trans-4-bromo-2-butenoate

Name: Methyl <I>trans</I>-4-bromo-2-butenoate
Brand: ALDRICH

technical, ≥90% (GC)

Synonym(s):

Methyl 4-bromocrotonate

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About This Item

Linear Formula:

BrCH₂CH=CHCOOCH₃

CAS Number:

6000-00-6

Molecular Weight:

179.01

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

57647572

MDL number:

MFCD00000246

Beilstein/REAXYS Number:

1745755

Assay:

≥90% (GC)

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Properties

grade

technical

Quality Level

100

assay

≥90% (GC)

contains

silver wool as stabilizer

impurities

~3% methyl cis-4-bromo-2-butenoate

refractive index

n20/D 1.501

bp

70 °C/0.03 mmHg (lit.)

density

1.498 g/mL at 20 °C (lit.)

functional group

bromo, ester

storage temp.

2-8°C

SMILES string

COC(=O)\C=C\CBr

InChI

1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

InChI key

RWIKCBHOVNDESJ-NSCUHMNNSA-N

Description

Application

Methyl trans-4-bromo-2-butenoate (Methyl 4-bromocrotonate) was used in the synthesis of highly substituted benzoxepines or benzopyrans and L-α-amino [4,5-³H]adipic acid.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

197.6 °F

flash_point_c

92 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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An Allylpalladium (IV) Intermediate in the Synthesis of Highly Substituted Benzoxepines and Benzopyrans via Reactions of Stable Pallada (II) cycles with Allyl Bromides.

Guo R, et al.

Organometallics, 26(15), 3784-3783 (2007)

Incorporation of 3H from delta-(L-alpha-amino (4,5-3H)adipyl)-L-cysteinyl-D-(4,4-3H)valine into isopenicillin N.

J O'Sullivan et al.

The Biochemical journal, 184(2), 421-426 (1979-11-15)

1. delta-(L-alpha-Amino[4,5-3H]adipyl)-L-cysteinyl-D-[4,4-3H]valine has been synthesized from its constituent amino acids, the L-alpha-amino[4,5-3H]adipic acid being obtained by reduction with 3H2 of methyl 5-acetamido-5,5-diethoxycarbonylpent-2-enoate and subsequent decarboxylation and hydrolysis. 2. In a cell-free system prepared by lysis of protoplasts of Cephalosporium acremonium

Global Trade Item Number

SKU	GTIN
16505-25ML	04061836691288
16505-5ML	04061838748492