CAS 16405-99-5 4-(Bromomethyl)-2,1,3-benzothiadiazole (HCID 2776286)

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Basic information

CAS: 16405-99-5
Standard SMILES: BrCc1cccc2nsnc12
InChIKey: QKHNCECWIKLSSV-UHFFFAOYSA-N
Molecular formula: C7H5BrN2S
Average molar mass: 229.1 g/mol
Monoisotopic mass: 227.93568

Names & identifiers

Preferred name: 4-(Bromomethyl)-2,1,3-benzothiadiazole
IUPAC: 4-(bromomethyl)-2,1,3-benzothiadiazole
English name: 4-(Bromomethyl)-2,1,3-benzothiadiazole
Molecular formula: C7H5BrN2S
Molecular weight: 229.1

Names & synonyms

4-(bromomethyl)-2,1,3-benzothiadiazole16405-99-5DTXSID50379955RefChem:288602DTXCID103309814-(bromomethyl)benzo[c][1,2,5]thiadiazoleMFCD004579464-bromomethyl-benzo[1,2,5]thiadiazole2,1,3-Benzothiadiazole, 4-(bromomethyl)-4-Bromomethyl-2,1,3-benzothiadiazole4-(bromomethyl)benzo[c]1,2,5-thiadiazoleSCHEMBL2805013

Show more names

4-Bromomethylbenzo[1,2,5]thiadiazole2,1,3-Benzothiadiazole,4-(bromomethyl)-4-(Bromomethyl)-2,1,3-benzothiadiazole 97%4-(Bromomethyl)-2,1,3-benzothiadiazole ,97%

QKHNCECWIKLSSV-UHFFFAOYSA-NRAA40599SBB0791744-bromomethylbenzo-2,1,3-thiadiazoleAKOS000369766AKOS022142380AS-63264-Bromomethyl-benzo[2,1,3]thiadiazole

Database identifiers

CAS: 16405-99-5
PubChem CID: 2776286
DTXSID: DTXSID50379955
EC Number: 139-060-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 89 °C · 89 °C
storage temp.: 2 · 2-8°C
form: crystalline powder
color: Pale yellow
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P301+P330+P331
Hazard Codes: Xi,C,Xn
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
Hazard Note: Irritant
HS Code: 29342000 · 29342000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.