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Home> Encyclopedia > Hot Product Listed 7   > 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-
3680-69-1 structure

7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-

Iupac Name:4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:3680-69-1
Molecular Weight:153.569
Molecular Formula:C6H4ClN3 (isomer)
Names and Identifiers
Synonyms

1h-pyrrolo[2,3-d]pyrimidine, 4-chloro- 1H-Pyrrolo[2,3-d]pyrimidine,4-chloro- (7CI,9CI) 3Z-0603 4CH-006224 4-chloro-1h-pyrrol{2,3-d}pyrimidine 4-chloro-1h-pyrrolo-[2,3-d]pyrimidine 4-chloro-3h-pyrrolo[2,3-d]pyrimidine 4-chloro-7h-pyrrolo(2,3-d)pyrimidine 4-chloro-7h-pyrrolo[2,3-d] pyrimidine 4-chloro-7h-pyrrolo[2,3-d]primidine 4-chloro-7h-pyrrolo[2,3-d]pyrimidine 4-chloro-7h-pyrrolo[2,3-d]-pyrimidine 4-chloro-7h-pyrrolo[2,3-d]pyr-imidine 4-chloro-7hpyrrolo[2,3-d]pyrimidine 4chloro-7h-pyrrolo[2,3-d]pyrimidine 4-chloro-7h-pyrrolo[2,3-d]pyrimidine # 4-chloro-7h-pyrrolo[2,3-d]pyrimidine/6-chloro-7-de 4-chloropyrrolo(2,3-d)pyrimidine 4-chloro-pyrrolo[2,3-d]pyrimidine 4-chloropyrrolo[2,3-d]pyrimidine 6-chloro-7-deaza purine 6-chloro-7-deazapurine 6-chloro-7-deazapurine (4-chloro-1h-pyrrolo(2,3-d)pyrimidine) 7h-pyrrolo(2,3-d)pyrimidine, 4-chloro- 7h-pyrrolo[2,3-d]pyrimidine, 4-chloro- A6334 AB0018392 AB0068577 AB0071553 AB1001514 AC1Q3HXK AC1Q3KVD AC-2838 AJ-55874 AKOS005070307 ALBB-010107 AN-414 AT-19201 AZ0001-0272 BC678039 BH795 BPTCCCTWWAUJRK-UHFFFAOYSA-N BR-23767 brn 0607871 cas number: 3680-69-1 CHEMBL2133071 CJ-12935 CM14190 CS-B0456 DB-031261 DTXSID70190280 EBD45489 EN002193 EN300-56508 FC0552 FT-0082323 G00038-WATSON-INT GS-6804 HC210278 HMS3085B16 HP21247 LS-139562 mfcd01686865 mfcd21607070 mls002693495 MOLPORT-000-140-364 MOLPORT-003-984-438 name: 4-chloropyrrolo[2,3-d]pyrimidine NCIOPEN2_000244 nsc 64952 nsc64952 nsc-64952 Q-200553 RP01814 RTC-020709 SBB050204 SC-03903 SCHEMBL102201 smr001559448 ST1191220 STK506211 SY003080 synonyms: 4-chloro-1h-pyrrolo[2,3-d]pyrimidine T6734662 TC-020709 TL8002718 tofacitinib impurity q TRA0007731 X-1254 ZINC6119142

Inchi
InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChkey
BPTCCCTWWAUJRK-UHFFFAOYSA-N
Canonical Smiles
C1=CNC2=C1C(=NC=N2)Cl
Properties
Appearance
light brown to brown crystalline powder
Density
1.531
Melting Point
186-189°C
Boiling Point
325.9 °C at 760 mmHg
Refractive Index
1.702
Flash Point
180.7 °C
HS Code
2942000000
Safety and Handling
Hazard Codes
Xi; T; Xn
Risk Statements
R36/37/38
Safety Statements
26-37-45-36
Safety

Hazard Codes:?IrritantXi,ToxicT,Xn
Risk Statements: 36/37/38-25-20/21/22?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R25: Toxic if swallowed.?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37-45-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37: Wear suitable gloves.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36: Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 3
RTECS: UY9360000
HazardClass: IRRITANT

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 297mg/kg (297mg/kg) ? Gann. Japanese Journal of Cancer Research. Vol. 56, Pg. 219, 1965.

Transport
UN 2811 6.1/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:153.569g/mol
  • Molecular Formula:C6H4ClN3
  • Compound Is Canonicalized:True
  • Exact Mass:153.009
  • Monoisotopic Mass:153.009
  • Complexity:130
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjAAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAIQAAAADALBGyQ9sN7JkACg AjJnZACCgCmxBqAJ2aA4ZpiIKMBBysEEBAhIEALAQCAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
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  • Tel:86-755-33239182
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