Benthiavalicarb-isopropyl, min.98% (HPLC)

Name: Benthiavalicarb-isopropyl
Brand: Chempure
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CAS Number

177406-68-7

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IUPAC name	propan-2-yl N-[(2S)-1-[[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
inchi	InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1
inchi key	USRKFGIXLGKMKU-ABAIWWIYSA-N
molecular formula	C18H24FN3O3S
synonyms	Benthiavalicarb-isopropyl Benthiavalicarb isopropyl 177406-68-7 AJ55PMS5IT 1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamate
Compound Description	Benthiavalicarb-isopropyl can cause cancer according to The Environmental Protection Agency . Benthiavalicarb-isopropyl is a carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide. It has a role as an antifungal agrochemical. It is an organofluorine compound, a member of benzothiazoles, a carbamate ester, a valine derivative, a valinamide fungicide, a benzothiazole fungicide, a carbamate fungicide and a secondary carboxamide. It is functionally related to a benthiavalicarb.

Computed Properties

Molecular Weight:	381.5 g/mol
XLogP3:	3.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	7
Exact Mass:	381.15224097 Da
Monoisotopic Mass:	381.15224097 Da
Topological Polar Surface Area:	109 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	506
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Sens. 1 (100%) Eye Irrit. 2 (35.4%) Acute Tox. 4 (35.4%) Carc. 2 (100%) Aquatic Acute 1 (35.4%) Aquatic Chronic 3 (17.2%) Carc. 1B Repr. 2 Skin Sens. 1 Aquatic Chronic 2
precautionary statement codes	P203, P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P333+P317, P337+P317, P362+P364, P391, P405, and P501
hazard statements	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (35.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (35.4%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H400 (35.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H412 (17.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Effects in high-dose animal studies include liver injury. Likely to be carcinogenic to humans.

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About this item

IUPAC name	propan-2-yl N-[(2S)-1-[[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
inchi	InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1
inchi key	USRKFGIXLGKMKU-ABAIWWIYSA-N
molecular formula	C18H24FN3O3S
synonyms	Benthiavalicarb-isopropyl Benthiavalicarb isopropyl 177406-68-7 AJ55PMS5IT 1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamate
Compound Description	Benthiavalicarb-isopropyl can cause cancer according to The Environmental Protection Agency . Benthiavalicarb-isopropyl is a carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide. It has a role as an antifungal agrochemical. It is an organofluorine compound, a member of benzothiazoles, a carbamate ester, a valine derivative, a valinamide fungicide, a benzothiazole fungicide, a carbamate fungicide and a secondary carboxamide. It is functionally related to a benthiavalicarb.

Computed Properties

Molecular Weight:	381.5 g/mol
XLogP3:	3.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	7
Exact Mass:	381.15224097 Da
Monoisotopic Mass:	381.15224097 Da
Topological Polar Surface Area:	109 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	506
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Sens. 1 (100%) Eye Irrit. 2 (35.4%) Acute Tox. 4 (35.4%) Carc. 2 (100%) Aquatic Acute 1 (35.4%) Aquatic Chronic 3 (17.2%) Carc. 1B Repr. 2 Skin Sens. 1 Aquatic Chronic 2
precautionary statement codes	P203, P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P333+P317, P337+P317, P362+P364, P391, P405, and P501
hazard statements	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (35.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (35.4%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H400 (35.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H412 (17.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Effects in high-dose animal studies include liver injury. Likely to be carcinogenic to humans.

Product No: DT8005

Benthiavalicarb-isopropyl, min.98% (HPLC)

Product No: DT8005

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: DT8005

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?