5-Bromo-4,6-dichloropyrimidin-2-amine

HCID 618288
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
7781-26-2
Standard SMILES
Nc1nc(Cl)c(Br)c(Cl)n1
InChIKey
LAUORAFVFXRKDL-UHFFFAOYSA-N
Molecular formula
C4H2BrCl2N3
Average molar mass
242.89 g/mol
Monoisotopic mass
240.88091452

Names & identifiers

Preferred name
5-Bromo-4,6-dichloropyrimidin-2-amine
IUPAC
5-bromo-4,6-dichloropyrimidin-2-amine
English name
5-Bromo-4,6-dichloropyrimidin-2-amine
Molecular formula
C4H2BrCl2N3
Molecular weight
242.89

Names & synonyms

5-bromo-4,6-dichloropyrimidin-2-amine7781-26-2DTXSID60347145RefChem:533599DTXCID90298217984-471-62-AMINO-5-BROMO-4,6-DICHLOROPYRIMIDINEMFCD002754552-Pyrimidinamine, 5-bromo-4,6-dichloro-5-Bromo-4,6-dichloro-pyrimidin-2-ylaminePyrimidine, 2-amino-5-bromo-4,6-dichloro-SCHEMBL3784217
Show more names
2-Amino-5-bromo-4,6-dichloropyrimidine97%2-Amino-5-bromo-4,6-dichloropyrimidine 97%5-Bromo-4,6-dichloropyrimidin-2-amine, 2-Amino-5-bromo-4,6-dichloro-1,3-diazine
SBB054481AKOS005138235GS-0649SB605125-bromo-4,6-dichloro-pyrimidin-2-amine2-amino-4,6-dichloro-5-bromo-pyrimidineSY0447575-Bromo-4,6-dichloro-2-pyrimidinamine #

Database identifiers

CAS
7781-26-2
PubChem CID
618288
DTXSID
DTXSID60347145
EC Number
984-471-6
Nikkaji
J103.034E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Boiling point
419.4 · 419.4±55.0 °C(Predicted)
Density
2.054 · 2.054±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
-1.47 · -1.47±0.10(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

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_code
Xi
Hazard statements
H315-H319-H335
Precautionary statements
P271-P261-P280

Chemistry & industry

Upstream & downstream products

Suppliers51 total

上海康恩博医药科技有限公司17510465506 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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