Basic information
- Standard SMILES
Cc1cc(N)ncc1Br- InChIKey
JDNCMHOKWINDKI-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2
- Average molar mass
- 187.04 g/mol
- Monoisotopic mass
- 185.97926032
Names & identifiers
- Preferred name
- 2-Amino-5-bromo-4-methylpyridine
- IUPAC
- 5-bromo-4-methylpyridin-2-amine
- English name
- 2-Amino-5-bromo-4-methylpyridine
- Molecular formula
- C6H7BrN2
- Molecular weight
- 187.04
Names & synonyms
2-Amino-5-bromo-4-methylpyridine98198-48-2DTXSID30355838RefChem:464526DTXCID00306897628-174-95-bromo-4-methylpyridin-2-amine2-Amino-5-bromo-4-picoline2-Amino-4-methyl-5-bromopyridineMFCD034276605-bromo-4-methyl-2-pyridinylamineJDNCMHOKWINDKI-UHFFFAOYSA-
Show more names
2-Amino-5-bromo-4-methyL2-AMINO-5-BROMO-GAMMA-PICOLINE2-Amino-5-bromo-4-picoline,97%
5-bromo-2-amino-4-methylpyridine2-amino-4-methyl-5-bromo-pyridineAC-232755-bromo-4-methyl-2-pyridylamine2-Pyridinamine, 5-bromo-4-methyl-5-bromo-4-methyl-2-pyridinamineBCP029952-Amino-5-Bro
Database identifiers
- CAS
98198-48-2- PubChem CID
- 817695
- DTXSID
DTXSID30355838- EC Number
- 628-174-9
- Nikkaji
- J1.053.216G
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
- 97.1
Physicochemical properties
- Melting point
- 148 · 148-151 °C (lit.)
- Boiling point
- 254.2 · 254.2±35.0 °C(Predicted)
- Density
- 1.5672 · 1.5672 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in methanol.
- pka
- 5.27 · 5.27±0.24(Predicted)
- form
- Powder
- color
- Cream
- InChI
- InChI=1S/C6H7BrN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
- InChIKey
- JDNCMHOKWINDKI-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(Br)C(C)=C1
- CAS DataBase Reference
- 98198 · 98198-48-2(CAS DataBase Reference)
- 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 · 26-36-37/39-37
- WGK Germany
- 3 · 3
- 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
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-37
- 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
Applications
Uses2-Amino-5-bromo-4-methylpyridine is used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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