CAS 16681-59-7|2-Bromo-1-methyl-1H-imidazole 97%|2-bromo-1-methylimidazole|2-bromo-1-methyl-1H-imidazole|2-bromo-1-methyl-1H-imidazole|2-溴-1-甲基-1H-咪唑|2-Bromo-1-methyl-1H-imidazole

Molecular Formula

C₄H₅BrN₂

Molecular Mass

160.9999

Exact Mass

159.96361017

InChI

InChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3

InChIKey

BANOTGHIHYMTDL-UHFFFAOYSA-N

Canonic Smiles

Cn1ccnc1Br

Isomeric Smiles

n1(ccnc1Br)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.0958077

LogD (pH = 7.4)

1.1418921

Log P

1.142519

Molar Refractivity

31.5343

Polarizability

11.962763

Polar Surface Area

17.82

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2773262

IUPAC Traditional name

2-bromo-1-methylimidazole

IUPAC name

2-bromo-1-methyl-1H-imidazole

Synonyms

2-Bromo-1-methyl-1H-imidazole 97%2-bromo-1-methyl-1H-imidazole2-溴-1-甲基-1H-咪唑2-Bromo-1-methyl-1H-imidazole

MDL Number

MFCD02179525

CAS Number

16681-59-7

PubChem SID

16203962824883061

Physical Property

Safety Information

Harmful/Irritant/Light Sensitive/Store under Argon

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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

Product Information

95%

95+%

97%

C4H5BrN2

No Data Available

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No Data Available

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Sigma Aldrich

639850

Packaging
1, 5 g in glass bottle

No Data Available

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Academic Data

PubChem

2773262

IUPAC Traditional name

2-bromo-1-methylimidazole

IUPAC name

2-bromo-1-methyl-1H-imidazole

Synonyms

2-Bromo-1-methyl-1H-imidazole 97%2-bromo-1-methyl-1H-imidazole2-溴-1-甲基-1H-咪唑2-Bromo-1-methyl-1H-imidazole

MDL Number

CAS Number

PubChem SID

639850

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Harmful/Irritant/Light Sensitive/Store under Argon

Download link

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

Product Information

95%

95+%

97%

C4H5BrN2

Corrosive to metals, category 1

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

Serious eye damage, category 1

Safety Statements

Risk Statements

22-38-41

German water hazard class

European Hazard Symbols

Harmful (Xn)

GHS Precautionary statements

P280-P305+P351+P338

GHS Hazard statements

H302-H315-H318

GHS Signal Word

Danger

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Molecule

ID:74709