Basic information
- CAS
24391-41-1- Standard SMILES
N#Cc1c[nH]c2ncnc(Cl)c12- InChIKey
NEWCOPCSNFUQQY-UHFFFAOYSA-N- Molecular formula
- C7H3ClN4
- Average molar mass
- 178.58 g/mol
- Monoisotopic mass
- 178.00462378
Names & identifiers
- Preferred name
- 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
- IUPAC
- 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- English name
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- Molecular formula
- C7H3ClN4
- Molecular weight
- 178.58
Names & synonyms
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile24391-41-1DTXSID906260714-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrileRefChem:291939DTXCID30576824812-754-5MFCD124060957H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, 4-CHLORO-SCHEMBL154683SCHEMBL15456616NEWCOPCSNFUQQY-UHFFFAOYSA-N
Show more names
4-CHLRO-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBON4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitrile7H-Pyrrolo[2,3-d]pyriMidine-5-carbonitrile,4-chloro-
AKOS015850501AKOS028109427PB33064AS-42319SY011874CS-00360694-chloro5-cyano-7H-pyrrolo[2,3-d]pyrimidineEN300-226247
Database identifiers
- CAS
24391-41-1- PubChem CID
- 22484542
- DTXSID
DTXSID90626071- EC Number
- 812-754-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 235.3 · 235.3±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- form
- solid
- pka
- 8.84 · 8.84±0.20(Predicted)
- color
- Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
16 records
Compound notes
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