CAS 100-44-7|Benzyl chloride|(chloromethyl)benzene|α-Chlorotoluene|benzyl chloride|苄氯|Benzyl chloride|α-氯甲苯|(Chloromethyl)benzene|Tolyl Chloride|Benzyl Chloride|Chlorophenylmethane|Phenylmeth...

InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

KCXMKQUNVWSEMD-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.560488

LogD (pH = 7.4)

2.560488

Log P

2.560488

Molar Refractivity

35.9249

Polarizability

13.9815035

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

(chloromethyl)benzene

Benzyl chlorideα-Chlorotoluene苄氯Benzyl chlorideα-氯甲苯(Chloromethyl)benzenePhenylmethyl ChlorideChlorophenylmethaneBenzyl ChlorideTolyl Chlorideω-Chlorotoluene1-Chloromethylbenzene6-(Chloromethyl)benzeneNSC 8043(Chloromethyl)benzene苄基氯alpha-ChlorotolueneBenzyl chloride 99%

IUPAC Traditional name

Unique Ingredient Identifier

Toxic/Lachrymatory/Light Sensitive/Moisture Sensitive

602-037-00-3

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185558

Packaging
1, 2, 4 kg in glass bottle
50, 250 g in glass bottle
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B233675

An intermediate in the preparation of phenylacetic acid (precursor to phamaceuticals). Also a precursor molecule to benzyl esters which are used as plasticizer, flavorants, and perfumes.

• Elmegeed, Get al.: Eur. J. Med. Chem., 40, 1283 (2005)

• Qiu, Z.: J Nat. Gas Chem., 14, 40 (2005)

• Abdelhalim, M.M. at al.: Steroids, 72, 459 (2005)

• Amidocarbonylation with acetamide and a CO/H₂ mixture under pressure, in the presence of Co₂(CO)₈ catalyst, provides a novel route to N-acetyl-DL-phenylalanine: J. Org. Chem., 61, 1842 (1996).

• Benzyllithium and substituted analogues have proved difficult to generate in a pure state owing to competing Wurtz coupling. Conditions have been described for efficient generation of benzyllithiums from the chlorides using Li naphthalenide in a mixed diethyl ether - THF - petroleum ether solvent system at -95^o: J. Chem. Soc., Perkin 1, 185 (1995).

Names and Identifiers

IUPAC name

(chloromethyl)benzene

Synonyms

IUPAC Traditional name

benzyl chloride

Registration numbers

Unique Ingredient Identifier

EC Number

CAS Number

CHEMBL

PubChem CID

Wikipedia Title

CHEBI ID

KEGG ID

Chemspider ID

Beilstein Number

PubChem SID

MDL Number

Merck Index

Molecule Details

OR16493

Stabilised

Wikipedia

Benzyl_chloride

Sigma Aldrich

185558

Packaging
1, 2, 4 kg in glass bottle
50, 250 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

TRC

B233675

An intermediate in the preparation of phenylacetic acid (precursor to phamaceuticals). Also a precursor molecule to benzyl esters which are used as plasticizer, flavorants, and perfumes.

References

PubChem Literature

From Data Sources

• Elmegeed, Get al.: Eur. J. Med. Chem., 40, 1283 (2005)

• Qiu, Z.: J Nat. Gas Chem., 14, 40 (2005)

• Abdelhalim, M.M. at al.: Steroids, 72, 459 (2005)

Bioactivity

PubChem BioAssay

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

GHS Signal Word

Danger

European Hazard Symbols

Toxic (T)

Safety Statements

53-45

53-26-39-45

German water hazard class

Packing Group

GHS Hazard statements

H302-H315-H318-H331-H335-H350-H373

H226-H302-H315-H318-H330-H335-H340-H350-H373

H331-H302-H315-H335-H350-H373-H318-H227

RID/ADR

UN 1738 6.1/PG 2

Risk Statements

45-22-23-37/38-41-48/22

45-46-22-23-37/38-41-48/22

RTECS

XS8925000

Hazard Class

6.1

Explode Limits

14 %

UN Number

1738

UN1738

GHS Precautionary statements

P201-P261-P280-P305+P351+P338-P311

P201-P260-P280-P284-P305+P351+P338-P310

P210-P260-P305+P351+P338-P302+P352-P405-P501A

TSCA Listed

是

Certificate of Analysis

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Molecule

ID:77921