Methabenzthiazuron

HCID 29216

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 18691-97-9
Standard SMILES: CNC(=O)N(C)c1nc2ccccc2s1
InChIKey: RRVIAQKBTUQODI-UHFFFAOYSA-N
Molecular formula: C10H11N3OS
Average molar mass: 221.285 g/mol
Monoisotopic mass: 221.06228297

Names & identifiers

Preferred name: Methabenzthiazuron
IUPAC: N-1,3-Benzothiazol-2-yl-N,N'-dimethylurea
English name: Methabenzthiazuron
Molecular formula: C10H11N3OS
Molecular weight: 221.28

Names & synonyms

s25128B-74283bay74283TRIBUNILTrubunilBAY-5653bayer5633TRIBUNIL(R)preparation5633methbenzthiazuron

Database identifiers

CAS: 18691-97-9
PubChem CID: 29216
DTXSID: DTXSID0037570
ChEMBL: CHEMBL1890813
ChEBI: CHEBI:6803
UNII: 82NPF43P0X
EC Number: 242-505-0
Nikkaji: J2.750B

Properties

Physicochemical properties

Melting point: 119 · 119-120.5°
Density: 1.2527 · 1.2527 (rough estimate)
refractive index: 1.674 · 1.6740 (estimate)
Flash point: 11 °C · 11 °C
storage temp.: 4 °C · APPROX 4°C
solubility: DMSO, Methanol (Sparingly)
pka: 12.83 · 12.83±0.46(Predicted)
color: Off-White to Pale Beige
Water Solubility: 59 mg/L · 59mg/L(20 ºC)
Merck: 14 · 14,5939
BRN: 196633 · 196633
Henry's Law Constant: 1.8 · 1.8×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
InChIKey: RRVIAQKBTUQODI-UHFFFAOYSA-N
SMILES: CNC(=O)N(C)c1nc2ccccc2s1
EWG's Food Scores: 1 · 1
FDA UNII: 82 NPF43P0X · 82NPF43P0X
EPA Substance Registry System: Methabenzthiazuron (18691-97-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 273 · P273-P391-P501
Hazard Codes: N,T,F
Risk Statements: 50 · 50/53-39/23/24/25-23/24/25-11
Safety Statements: 60 · 60-61-45-16-7
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 2 · 2
RTECS: 8980000 · YR8980000
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29342000 · 29342000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
Toxicity: 50 in · LD50 in mice (mg/kg): >1000 orally; in male, female rats (mg/kg): >2500, >2500 orally; 540, 315 i.p. (Kimmerle, Lser)

Safety & regulation

Safety data

wgk: 2
rtecs: YR8980000
ridadr: UN 3077 9/PG 3
hs_code: 29342000
Toxicity: LD50 in mice (mg/kg): >1000 orally; in male, female rats (mg/kg): >2500, >2500 orally; 540, 315 i.p. (Kimmerle, Lser)
risk_code: 50/53-39/23/24/25-23/24/25-11
Signal word: Warning
Symbol(GHS): GHS09
hazard_code: N,T,F
safety_code: 60-61-45-16-7
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
Precautionary statements: P273-P391-P501

Chemistry & industry

Applications

UsesMethabenzthiazuron is a benzothiazole and urea based herbicide used to control a spectrum of broad-leaved weeds and grasses crops. Methabenzthiazuron works via the inhibition of photosynthetic electron transport chain.

UsesSelective herbicide.

Upstream & downstream products

Upstream raw materials

Suppliers41 total

湖北万得化工有限公司15377098680 15377098680 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

Additional notes

DefinitionChEBI: Methabenzthiazuron is a member of benzothiazoles.

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…