Basic information
- CAS
42753-71-9- Standard SMILES
Cc1nc(N)ccc1Br- InChIKey
SEOZHXRTVJPQPZ-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2
- Average molar mass
- 187.04 g/mol
- Monoisotopic mass
- 185.97926
Names & identifiers
- Preferred name
- 2-Pyridinamine, 5-bromo-6-methyl-
- IUPAC
- 5-bromo-6-methylpyridin-2-amine
- English name
- 2-Amino-5-bromo-6-methylpyridine
- Molecular formula
- C6H7BrN2
- Molecular weight
- 187.04
Names & synonyms
42753-71-95-Bromo-6-methylpyridin-2-amine2-Pyridinamine, 5-bromo-6-methyl-5-Bromo-6-methyl-2-pyridinamineEINECS 255-927-5DTXSID8068414SEOZHXRTVJPQPZ-UHFFFAOYSA-RefChem:483338DTXCID7040154255-927-5InChI=1/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)2-Amino-5-bromo-6-methylpyridine
Show more names
5-BROMO-6-METHYL-PYRIDIN-2-YLAMINEASISCHEM W51193BUTTPARK 43\57-95AKOS BBS-00004445TIMTEC-BB SBB0002606-Amino-3-bromo-2-methyL5-fluoro-2-pyridin-2-amine
6-Amino-3-bromo-2-methylpyridine6-Amino-3-bromo-2-picolineMFCD000682305-bromo-6-methyl-pyridin-2-amine5-bromo-6-methylpyridin-2-ylamineEN300-912865-bromo-6-methyl-2-pyridylamine2-amino-5-bromo-6-picoline
Database identifiers
- CAS
42753-71-9- PubChem CID
- 170678
- DTXSID
DTXSID8068414- UNII
- DU7SD24F59
- EC Number
- 255-927-5
- Nikkaji
- J309.964D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Melting point
- 79 · 79-84 °C(lit.)
- Boiling point
- 234.3 · 234.3±35.0 °C(Predicted)
- Density
- 1.5672 · 1.5672 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 4.8 · 4.80±0.37(Predicted)
- form
- Fluffy Powder
- color
- White to off-white
- Sensitive
- Hygroscopic
- BRN
- 114140 · 114140
- InChI
- InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
- InChIKey
- SEOZHXRTVJPQPZ-UHFFFAOYSA-N
- SMILES
- C1(N)=NC(C)=C(Br)C=C1
- CAS DataBase Reference
- 42753 · 42753-71-9(CAS DataBase Reference)
- FDA UNII
- 7 SD24F59 · DU7SD24F59
- EPA Substance Registry System
- 2 · 2-Pyridinamine, 5-bromo-6-methyl- (42753-71-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-26/37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-26/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
84 records
Compound notes
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