2-Chloropyrimidine-4,5-diamine

HCID 84565
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Basic information

CAS
14631-08-4
Standard SMILES
Nc1cnc(Cl)nc1N
InChIKey
QDUJVEOOSNUDDW-UHFFFAOYSA-N
Molecular formula
C4H5ClN4
Average molar mass
144.56 g/mol
Monoisotopic mass
144.0202739

Names & identifiers

Preferred name
2-Chloropyrimidine-4,5-diamine
IUPAC
2-chloropyrimidine-4,5-diamine
English name
2-Chloro-4,5-diaminopyrimidine
Molecular formula
C4H5ClN4
Molecular weight
144.56

Names & synonyms

2-Chloropyrimidine-4,5-diamine14631-08-44,5-Pyrimidinediamine, 2-chloro-2-Chloro-4,5-pyrimidinediamineAI3-52054EINECS 238-672-4DTXSID70163353NSC 45754RefChem:470517DTXCID8085844238-672-4InChI=1/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
Show more names
IFLAB-BB F1371-01556-Chloro-2,3-PyriMidinediaMine2-CHLORO-4,5-DIAMONOPYRIMIDINE(4-amino-2-chloro-pyrimidin-5-yl)amin4,5-Pyrimidinediamine, 2-chloro- (9CI)(4-amino-2-chloro-pyrimidin-5-yl)amine
QJIUMVUZDYPQRT-UHFFFAOYSA-2-Chloro-4,5-diaminopyrimidine4,5-Diamino-2-chloropyrimidineMFCD00047355Pyrimidine, 4,5-diamino-2-chloro-TW5LFP3QGS2-Chloro-pyrimidine-4,5-diamineNSC-45754

Database identifiers

CAS
14631-08-4
PubChem CID
84565
DTXSID
DTXSID70163353
UNII
TW5LFP3QGS
EC Number
238-672-4
Nikkaji
J101.373D

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
220 °C · 220 °C (decomp)
Boiling point
417.9 · 417.9±25.0 °C(Predicted)
Density
1.564 · 1.564±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
3.61 · 3.61±0.10(Predicted)
Appearance
Off-white to light brown Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (90.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 31 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2933599590
risk_code
22-36-43
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-36/37

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers88 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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