2,1,3-Benzothiadiazole-4-carbaldehyde

HCID 2776283CAS 5170-68-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cccc2nsnc12
InChIKey
ANVJARPTPIVPRC-UHFFFAOYSA-N
Molecular formula
C7H4N2OS
Average molar mass
164.19 g/mol
Monoisotopic mass
164.00443375

Names & identifiers

Preferred name
2,1,3-Benzothiadiazole-4-carbaldehyde
IUPAC
2,1,3-benzothiadiazole-4-carbaldehyde
English name
2,1,3-Benzothiadiazole-4-carbaldehyde
Molecular formula
C7H4N2OS
Molecular weight
164.19

Names & synonyms

5170-68-32,1,3-benzothiadiazole-4-carbaldehydeDTXSID70379952RefChem:241854DTXCID80330978benzo[c][1,2,5]thiadiazole-4-carbaldehyde2,1,3-BENZOTHIADIAZOLE-4-CARBOXALDEHYDEMFCD02681902Benzo[1,2,5]thiadiazole-4-carbaldehyde1,2,3-BENZOTHIADIAZOLE-4-CARBALDEHYDE2,1,3-benzothiadiazole-4-aldehyde3-Benzothiadiazole-4-aldehyde
Show more names
2,1,3-Benzothiazol-4-formaldehydeBenzoc1,2,5thiadiazol-4-carbaldehyde
AKOS BB-8672SCHEMBL1337393ANVJARPTPIVPRC-UHFFFAOYSA-N2,1,3-benzothiadiazol-4-aldehyde4-ForMyl-2,1,3-benzothiadiazoleFAA17068SBB087797AKOS004117758

Database identifiers

CAS
5170-68-3
PubChem CID
2776283
DTXSID
DTXSID70379952
Nikkaji
J3.676.304C

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
99 °C · 99 °C
Boiling point
291.9 · 291.9±13.0℃ (760 Torr)
Density
1.477 · 1.477±0.06 g/cm3 (20 ºC 760 Torr)
Flash point
130.3 · 130.3±19.8℃
storage temp.
2 · 2-8°C
form
crystalline solid

Safety & regulation

Safety data

hs_code
29342000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Upstream & downstream products

Suppliers50 total

广州诚创生物科技有限公司18027266590 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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