4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

Suppliers

Names

[ CAS No. ]:
3680-69-1

[ Name ]:
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

[Synonym ]:
6-Chloro-7-deazapurine
4-Chloropyrrolo[2,3-d]Pyrimidine
MFCD01686865
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
4-Chlor-7H-pyrrolo[2,3-d]pyrimidin
4-Chloro-1H-pyrrolo(2,3-d)pyrimidine
Tofacitinib Impurity Q

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
325.9ºC at 760 mmHg

[ Melting Point ]:
183-184°C

[ Molecular Formula ]:
C6H4ClN3

[ Molecular Weight ]:
153.57

[ Flash Point ]:
180.7ºC

[ Exact Mass ]:
153.009369

[ PSA ]:
41.57000

[ LogP ]:
1.03

[ Index of Refraction ]:
1.720

[ Storage condition ]:
Room temperature.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY9360000
CHEMICAL NAME :
7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CAS REGISTRY NUMBER :
3680-69-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H4-Cl-N3
MOLECULAR WEIGHT :
153.58

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
297 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75, 1907-84. For publisher information, see JJCREP. Volume(issue)/page/year: 56,219,1965

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
Xi: Irritant;T: Toxic;Xn: Harmful;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37-S45

[ RIDADR ]:
UN 2811 6.1/PG 3

[ RTECS ]:
UY9360000

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pyrrolo[2,3-d]pyrimidin-4-ol
  • Ethyl 2-cyano-4,4-diethoxybutyrate
  • 4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-
  • 4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,2,3,7-tetrahydro-2-thioxo-
  • 6-Amino-5-(2,2-diethoxyethyl)pyrimidin-4-ol

DownStream

  • 4-iodo-7H-pyrrolo[2,3-d]pyrimidine
  • methyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
  • 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
  • 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
  • 7-Deaza-2'-dA
  • INCB032304
  • 4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
  • Ruxolitinib (INCB018424)
  • 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
  • 4-CHLORO-7-CYCLOPENTYL-7H-PYRROLO[2,3-D]PYRIMIDINE

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 7-ALLYL-4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE
  • 5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
  • 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
  • 5-fluoro-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
  • 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-7-ethanol
  • 2-tert-butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine