Basic information
- CAS
35808-68-5- Standard SMILES
Cc1cc2c(Cl)ncnc2[nH]1- InChIKey
PGQJBJDESGAJSO-UHFFFAOYSA-N- Molecular formula
- C7H6ClN3
- Average molar mass
- 167.59 g/mol
- Monoisotopic mass
- 167.0250249
Names & identifiers
- Preferred name
- 4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
- English name
- 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
- Molecular formula
- C7H6ClN3
- Molecular weight
- 167.6
Names & synonyms
4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidineDTXSID703193784-chloro-6-methyl-7H-pyrrolo(2,3-d)pyrimidineRefChem:521643DTXCID20270501892-330-435808-68-5MFCD09033903NSC344519SCHEMBL5147881H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-AKOS015850489
Show more names
NSC 3445194-Chloro-6-Methyl-7H-pyrr...4-chloro-6-methyl-1H-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-
CS-W009106NSC-344519PB11889DS-10860SY011872AM2009054-Chloro-6-methyl-7H-pyrrolo[23-d]pyrimidineEN300-746606
Database identifiers
- CAS
35808-68-5- PubChem CID
- 335407
- DTXSID
DTXSID70319378- EC Number
- 892-330-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 292.2 · 292.2±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.49 · 11.49±0.40(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers86 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Related reactions
24 records
Compound notes
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