CAS 39191-07-6|3-氯-N-甲基苄胺|3-Chloro-N-methylbenzylamine|N-(3-chlorobenzyl)-N-methylamine|[(3-chlorophenyl)methyl](methyl)amine|[(3-chlorophenyl)methyl](methyl)amine|1-(3-Chlorophenyl)-N-MethylMe...

Molecular Formula

C₈H₁₀ClN

Molecular Mass

155.6247

Exact Mass

155.05017701

InChI

InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3

InChIKey

ZPNLAQVYPIAHTO-UHFFFAOYSA-N

Canonic Smiles

CNCc1cccc(c1)Cl

Isomeric Smiles

c1c(Cl)cccc1CNC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.0369271

LogD (pH = 7.4)

0.060019176

Log P

2.1356394

Molar Refractivity

44.1108

Polarizability

17.395733

Polar Surface Area

12.03

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

122721

Synonyms

3-氯-N-甲基苄胺3-Chloro-N-methylbenzylamineN-(3-chlorobenzyl)-N-methylamine1-(3-Chlorophenyl)-N-MethylMethanaMine

IUPAC Traditional name

[(3-chlorophenyl)methyl](methyl)amine

IUPAC name

[(3-chlorophenyl)methyl](methyl)amine

CAS Number

39191-07-6

MDL Number

MFCD00045194

PubChem SID

24882386162087610

Product Information

Purity

TECH

97%

98%

Empirical Formula (Hill Notation)

C8H10ClN

Personal Protective Equipment

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

GHS Precautionary statements

P280-P305+P351+P338

GHS Signal Word

Danger

German water hazard class

Safety Statements

16-26-36/37/39

MSDS Link

Download link

Hazard Class

GHS Pictograms

Corrosive to metals, category 1

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

Serious eye damage, 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

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H226-H302-H315-H318

RID/ADR

UN 1993 3/PG 3

Packing Group

Risk Statements

10-22-38-41

European Hazard Symbols

Harmful (Xn)

UN Number

1993

Physical Property

Refractive Index

n20/D 1.5395(lit.)

Flash Point

46 °C

114.8 °F

Boiling Point

97 °C/0.6 mmHg(lit.)

Density

1.072 g/mL at 25 °C(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

631116

Packaging
1, 5 g in glass bottle

No Data Available

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Academic Data

PubChem

122721

Synonyms

3-氯-N-甲基苄胺3-Chloro-N-methylbenzylamineN-(3-chlorobenzyl)-N-methylamine1-(3-Chlorophenyl)-N-MethylMethanaMine

IUPAC Traditional name

[(3-chlorophenyl)methyl](methyl)amine

IUPAC name

[(3-chlorophenyl)methyl](methyl)amine

CAS Number

39191-07-6

MDL Number

MFCD00045194

PubChem SID

24882386162087610

Product Information

Purity

TECH

97%

98%

Empirical Formula (Hill Notation)

C8H10ClN

Safety Information

Physical Property

Refractive Index

n20/D 1.5395(lit.)

Flash Point

46 °C

114.8 °F

Boiling Point

97 °C/0.6 mmHg(lit.)

Density

1.072 g/mL at 25 °C(lit.)

Sigma Aldrich

631116

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:101728