6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
Basic information
- CAS
352637-44-6- Standard SMILES
N#Cc1cnn2cc(Br)cnc12- InChIKey
IDYCEZBYNPADDN-UHFFFAOYSA-N- Molecular formula
- C7H3BrN4
- Average molar mass
- 223.03 g/mol
- Monoisotopic mass
- 221.95411
Names & identifiers
- Preferred name
- 6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
- IUPAC
- 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
- English name
- 6-Bromo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- Molecular formula
- C7H3BrN4
- Molecular weight
- 223.03
Names & synonyms
6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrileDTXSID203467106-bromopyrazolo(1,5-a)pyrimidine-3-carbonitrileRefChem:541269DTXCID10297782867-307-7352637-44-66-Bromo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile6-Bromo-3- cyano-pyrazolo[1,5-a]pyrimidineMFCD004613926-bromo-pyrazolo(1,5-A)pyrimidine-3-carbonitrileSCHEMBL1991834
Show more names
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 6-bromo-6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile,98%6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile(SALTDATA: FREE)6-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE ISO 9001：2015 REACH
CPA63744AKOS006222758BS-37775SY065944DB-0691876-Bromo-3-cyano-pyrazolo[1,5-a]pyrimidineCS-0036300ST50979215
Database identifiers
- CAS
352637-44-6- PubChem CID
- 614285
- DTXSID
DTXSID20346710- EC Number
- 867-307-7
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 154 · 154-156℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- Light yellow to light brown Solid
- Sensitive
- Light Sensitive
- InChI
- 1S/C7H3BrN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H
- InChIKey
- IDYCEZBYNPADDN-UHFFFAOYSA-N
- SMILES
- Brc1cnc2c(cnn2c1)C#N
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Suppliers
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Related reactions
3 records
Compound notes
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