C86405

Crotyl bromide

technical grade, 85% (mixture of cis & trans)

• Synonym(s): trans-1-Bromo-2-butene
• Linear Formula: CH₃CH=CHCH₂Br
• CAS Number: 29576-14-5
• Molecular Weight: 135.00
• Beilstein/REAXYS Number: 1361394
• MDL number: MFCD00000248
• UNSPSC Code: 12352100
• PubChem Substance ID: 24893087
• NACRES: NA.22
• form: liquid
• assay: 85% (mixture of cis & trans)

Properties

• grade: technical grade
• Quality Level: 100
• assay: 85% (mixture of cis & trans)
• form: liquid
• refractive index: n20/D 1.480 (lit.)
• bp: 97-99 °C (lit.)
• density: 1.312 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: [H]\C(C)=C(\[H])CBr
• InChI: 1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
• InChI key: AVMHMVJVHYGDOO-NSCUHMNNSA-N

Description

Application

Crotyl bromide is a general organic reagent that can be used in the total synthesis of biologically important natural products and their derivatives such as (+)-artemisinin, plakortone E and (−)-horsfiline.[1][2][3]
It can also be used to prepare analogs of deoxycyclitols, pentopyranoses, 6-deoxyhexoses, hexoses[4] and pseudo-indoxyl derivatives.[5]

Other Notes

remainder 3-bromo-1-butene

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 51.8 °F - closed cup
• flash_point_c: 11 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter