CAS 1974-04-5|2-bromoheptane|2-bromoheptane|2-BROMOHEPTANE|2-溴庚烷|1-Methylhexyl bromide|2-Bromoheptane|2-溴代庚烷

Molecular Formula

C₇H₁₅Br

Molecular Mass

179.098

Exact Mass

178.03571248

InChI

InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

InChIKey

HLAUCEOFCOXKNF-UHFFFAOYSA-N

Canonic Smiles

CCCCCC(Br)C

Isomeric Smiles

CCCCCC(C)Br

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6511214

LogD (pH = 7.4)

3.6511214

Log P

3.6511214

Molar Refractivity

41.7902

Polarizability

16.274178

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

16090

IUPAC Traditional name

2-bromoheptane

IUPAC name

2-bromoheptane

Synonyms

2-BROMOHEPTANE2-溴庚烷1-Methylhexyl bromide2-Bromoheptane2-溴代庚烷

CAS Number

Beilstein Number

MDL Number

PubChem SID

Product Information

Certificate of Analysis

Download link

Grade

technical grade

Linear Formula

CH3CH2CH2CH2CH2CHBrCH3

MSDS Link

Download link

UN Number

1993

Risk Statements

10-36/37/38

GHS Pictograms

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

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

European Hazard Symbols

Irritant (Xi)

GHS Hazard statements

H226-H315-H319-H335

German water hazard class

RID/ADR

UN 1993 3/PG 3

Personal Protective Equipment

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

GHS Precautionary statements

P261-P305+P351+P338

Safety Statements

16-26-36/37/39

Packing Group

Hazard Class

GHS Signal Word

Warning

Physical Property

Density

1.142 g/mL at 25 °C(lit.)

Boiling Point

64-66 °C/21 mmHg(lit.)

Flash Point

54 °C

129.2 °F

Refractive Index

n20/D 1.447(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

292389

Packaging
25, 100 g in glass bottle

MP Biomedicals

05201778

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Academic Data

PubChem

16090

IUPAC Traditional name

2-bromoheptane

IUPAC name

2-bromoheptane

Synonyms

2-BROMOHEPTANE2-溴庚烷1-Methylhexyl bromide2-Bromoheptane2-溴代庚烷

CAS Number

Beilstein Number

MDL Number

PubChem SID

292389

Packaging
25, 100 g in glass bottle

MP Biomedicals

05201778

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Product Information

Certificate of Analysis

Download link

Grade

technical grade

Linear Formula

CH3CH2CH2CH2CH2CHBrCH3

Safety Information

Physical Property

Density

1.142 g/mL at 25 °C(lit.)

Boiling Point

64-66 °C/21 mmHg(lit.)

Flash Point

54 °C

129.2 °F

Refractive Index

n20/D 1.447(lit.)

Molecule

ID:106888