2,4-Dichlorobenzothiazole

HCID 77177

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Basic information

CAS: 3622-30-8
Standard SMILES: Clc1nc2c(Cl)cccc2s1
InChIKey: JJWANONAOYNRME-UHFFFAOYSA-N
Molecular formula: C7H3Cl2NS
Average molar mass: 204.08 g/mol
Monoisotopic mass: 202.93632546

Names & identifiers

Preferred name: 2,4-Dichlorobenzothiazole
IUPAC: 2,4-dichloro-1,3-benzothiazole
English name: 2,4-Dichlorobenzothiazole
Molecular formula: C7H3Cl2NS
Molecular weight: 204.08

Names & synonyms

2,4-Dichlorobenzothiazole3622-30-8EINECS 222-821-5DTXSID10189774RefChem:82381DTXCID70112265222-821-52,4-dichloro-1,3-benzothiazolebenzothiazole, 2,4-dichloro-2,4-DICHLOROBENZO[D]THIAZOLEMFCD001277162,4-Dichloro-benzothiazole

Show more names

IFLAB-BB F1910-00082,4-Dichlorbenzothiazolsulfuric acid [[3-hydroxy-1-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-mercapto-2-oxanyl]pent-4-enyl]amino] ester

2,4-dichlorobenzo-thiazoleSCHEMBL1747928benzothiazole,dichloro-Benzothiazole, 2,4-dichloro- (7CI,8CI,9CI)HMS1655H09AKOS005208217AC-6247CS-W021512

Database identifiers

CAS: 3622-30-8
PubChem CID: 77177
DTXSID: DTXSID10189774
EC Number: 222-821-5
Nikkaji: J25.692G

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 96 · 96-97 °C
Boiling point: 286.8 · 286.8±13.0 °C(Predicted)
Density: 1.567 · 1.567±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.02 · -2.02±0.10(Predicted)
Appearance: Light yellow to orange Solid
HS Code: 29342000 · 29342000

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.