Basic information
- CAS
1929-88-0- Standard SMILES
CNC(=O)Nc1nc2ccccc2s1- InChIKey
DTCJYIIKPVRVDD-UHFFFAOYSA-N- Molecular formula
- C9H9N3OS
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.04663309
Overview
Benzthiazuron is a member of benzothiazoles.
Names & identifiers
- Preferred name
- Benzthiazuron
- IUPAC
- 1-(1,3-benzothiazol-2-yl)-3-methylurea
- English name
- Benzthiazuron
- Molecular formula
- C9H9N3OS
- Molecular weight
- 207.25
Names & synonyms
Benzthiazuron1929-88-01-(1,3-Benzothiazol-2-yl)-3-methylureaN-(2-Benzothiazolyl)-N'-methylureaI9612759PANSC-202513DTXSID8041662RefChem:118823DTXCID6021662217-685-9GatinonGatnon
Show more names
s22012B-60618bay60618GATNON(R)BenthiazuronBenzthiazuron-D3
Bayer 606181-Methyl-3-(2-benzthiazolyl)urea1-Methyl-3-(2-benzothiazolyl)ureaBenzothiazole, 2-(1-methylureido)-N-Methyl-N'-(2-benzothiazolyl)ureaBAY 60618Urea, N-2-benzothiazolyl-N'-methyl-Urea, 1-(2-benzothiazolyl)-3-methyl-
Database identifiers
- CAS
1929-88-0- PubChem CID
- 16007
- DTXSID
DTXSID8041662- ChEBI
CHEBI:82185- UNII
- I9612759PA
- EC Number
- 217-685-9
- Nikkaji
- J9.538I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Physicochemical properties
- Melting point
- 265 ℃ · 265℃
- Density
- 1.398 · 1.398
- refractive index
- 1.719 · 1.7190 (estimate)
- pka
- 8.89 · 8.89±0.70(Predicted)
- Water Solubility
- 12 mg/L · 12mg/L(20 ºC)
- Henry's Law Constant
- 1.9 · 1.9×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9612759 PA · I9612759PA
- EPA Substance Registry System
- Benzthiazuron (1929-88-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationReg. (EC) No 2076/2002
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- rtecs
- YR8985000
- hs_code
- 29342000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
DescriptionBenzthiazuron is an obsolete pre-emergence herbicide that was used mainly to control annual broadleaved weeds in a variety of crops. This herbicide has a moderate aqueous solubility and is not volatile. There is some evidence that it can be moderately persistent in some soil systems. Based on its physico-chemical properties benzthiazuron also has potential to leach to groundwaters. Ecotoxicology information is scant but for aquatic organisms the risk appears to be low to moderate. The mammalian oral toxicity is moderate and the substance is a skin and eye irritant.
UsesBenzthiazuron is an herbicide. It is generally a component of pesticide compositions.
Suppliers26 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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