Thiobencarb

HCID 34192

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Basic information

CAS: 28249-77-6
Standard SMILES: CCN(CC)C(=O)SCc1ccc(Cl)cc1
InChIKey: QHTQREMOGMZHJV-UHFFFAOYSA-N
Molecular formula: C12H16ClNOS
Average molar mass: 257.786 g/mol
Monoisotopic mass: 257.06411281

Names & identifiers

Preferred name: Thiobencarb
IUPAC: S-[(4-Chlorophenyl)methyl] diethylcarbamothioate
English name: Thiobencarb
Molecular formula: C12H16ClNOS
Molecular weight: 257.78

Names & synonyms

BENTHIOCARBb-3015B 3015TOBOSABOLEROSATURNimc3950BIGTURNSIACARBSaturno

Database identifiers

CAS: 28249-77-6
PubChem CID: 34192
DTXSID: DTXSID6024337
ChEMBL: CHEMBL388559
ChEBI: CHEBI:35011
UNII: 90LN6Y7I7H
EC Number: 248-924-5
Nikkaji: J3.483E

Properties

Physicochemical properties

Melting point: 1.7 °C · 1.7°C
Boiling point: 126 · 126-129°C
Density: 1.0756 · 1.0756 (rough estimate)
refractive index: 1.563 · 1.5630 (estimate)
storage temp.: 4 °C · APPROX 4°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Liquid
pka: -1.26 · -1.26±0.70(Predicted)
color: Pale yellow
Water Solubility: 30 mg/L · 30mg/L(22 ºC)
BRN: 1968440 · 1968440
Henry's Law Constant: 1.9 · 1.9×101 mol/(m3Pa) at 25℃, Watanabe (1993)
Major Application: agricultureenvironmental
InChI: InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey: QHTQREMOGMZHJV-UHFFFAOYSA-N
SMILES: C(SCC1=CC=C(Cl)C=C1)(=O)N(CC)CC
CAS DataBase Reference: 28249 · 28249-77-6(CAS DataBase Reference)
FDA UNII: 90 LN6Y7I7H · 90LN6Y7I7H
NIST Chemistry Reference: Benthiocarb(28249-77-6)
EPA Substance Registry System: Thiobencarb (28249-77-6)
Pesticides Freedom of Information Act (FOIA): Thiobencarb
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H410
Precautionary statements: 273 · P273-P301+P312+P330
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,N,Xn
Risk Statements: 22 · 22-50/53
Safety Statements: 60 · 60-61
RIDADR: 3082 · UN 3082
WGK Germany: 3 · 3
RTECS: 7260000 · EZ7260000
HS Code: 29302000 · 29302000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
Hazardous Substances Data: 28249 · 28249-77-6(Hazardous Substances Data)
Toxicity: 50 · chicken,LD50,oral,673mg/kg (673mg/kg),Japan Pesticide Information. Vol. (19), Pg. 21, 1974.

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: EZ7260000
ridadr: UN 3082
hs_code: 29302000
Toxicity: chicken,LD50,oral,673mg/kg (673mg/kg),Japan Pesticide Information. Vol. (19), Pg. 21, 1974.
risk_code: 22-50/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N,Xn
safety_code: 60-61
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H410
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
Precautionary statements: P273-P301+P312+P330
Hazardous Substances Data: 28249-77-6(Hazardous Substances Data)

Chemistry & industry

Applications

UsesThiocarbamate herbicide used to control sedges and grasses in rice paddies.

General DescriptionPale yellow to brownish yellow liquid. Non corrosive. Used as an herbicide.

Upstream & downstream products

Upstream raw materials

Suppliers67 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]

Additional notes

DefinitionChEBI: Thiobencarb is a member of monochlorobenzenes and a monothiocarbamic ester.

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