CAS 612-23-7|alpha-Chloro-2-nitrotoluene|2-nitro-benzylchlorid|1-(chloromethyl)-2-nitrobenzene|2-(Chloromethyl)nitrobenzene|2-Nitrobenzyl chloride|o-NITROBENZYL CHLORIDE|2-Nitrobenzyl chloride|2-硝基...

Molecular Formula

C₇H₆ClNO₂

Molecular Mass

171.58104

Exact Mass

171.00870612

InChI

InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2

InChIKey

BXCBUWKTXLWPSB-UHFFFAOYSA-N

Canonic Smiles

ClCc1ccccc1[N+](=O)[O-]

Isomeric Smiles

ClCc1c(cccc1)[N+](=O)[O-]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.500472

LogD (pH = 7.4)

2.500472

Log P

2.500472

Molar Refractivity

42.2454

Polarizability

15.910307

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

11921

Synonyms

alpha-Chloro-2-nitrotoluene2-(Chloromethyl)nitrobenzene2-Nitrobenzyl chlorideo-NITROBENZYL CHLORIDE2-Nitrobenzyl chloride2-硝基苄基氯α-Chloro-2-nitrotolueneα-氯-2-硝基甲苯2-硝基苄氯

IUPAC Traditional name

2-nitro-benzylchlorid

IUPAC name

1-(chloromethyl)-2-nitrobenzene

MDL Number

MFCD00007185

Beilstein Number

388396

Storage Warning

Corrosive/Harmful/Mutagenic/Lachrymatory/Moisture Sensitive/Store under Argon

RTECS

XS9092000

European Hazard Symbols

Irritant (Xi)

Corrosive (C)

Risk Statements

R:36/37/38

34-68

MSDS Link

Download link

Safety Statements

S:20-25-26-37/39

26-36/37/39-45

German water hazard class

Hazard Class

GHS Hazard statements

H314

H314-H318-H341

Packing Group

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

GHS Pictograms

Corrosive to metals, category 1

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

Serious eye damage, category 1

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

GHS Precautionary statements

P280-P305+P351+P338-P310

P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

UN Number

3261

UN3261

RID/ADR

UN 3261 8/PG 2

GHS Signal Word

Danger

TSCA Listed

否

Physical Property

Product Information

No Data Available

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MP Biomedicals

05216416

MP Biomedicals Rare Chemical collection

Sigma Aldrich

107336

Packaging
10, 50 g in glass bottle

From Data Sources

• Has been used to introduce the photolabile 2-nitrobenzyl protecting group for the phenolic OH group of tyrosine: Int. J. Pept. Protein Res., 9, 91 (1977).

Academic Data

PubChem

11921

Synonyms

alpha-Chloro-2-nitrotoluene2-(Chloromethyl)nitrobenzene2-Nitrobenzyl chlorideo-NITROBENZYL CHLORIDE2-Nitrobenzyl chloride2-硝基苄基氯α-Chloro-2-nitrotolueneα-氯-2-硝基甲苯2-硝基苄氯

IUPAC Traditional name

2-nitro-benzylchlorid

IUPAC name

1-(chloromethyl)-2-nitrobenzene

MDL Number

Beilstein Number

MP Biomedicals Rare Chemical collection

Sigma Aldrich

107336

Packaging
10, 50 g in glass bottle

From Data Sources

• Has been used to introduce the photolabile 2-nitrobenzyl protecting group for the phenolic OH group of tyrosine: Int. J. Pept. Protein Res., 9, 91 (1977).

Safety Information

Physical Property

Product Information

Molecule

ID:89103