CAS Number123342-93-8
Synonyms2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid; Pyrithiobac; 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid; pyrithyiobac; UNII-3327Q8RB9O; 2-chloro-6-[(4,6-dimethoxy-2pyrimidinyl)thio]benzoic acid; 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid; 6-chloro-2-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid; 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid; 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate; Pyrithiobac [ISO]; 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid; 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76
Purity98.00%
Density1.51
Boiling Point546.4ºC at 760 mmHg
Melting Point148-151ºC
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 123342-93-8 |
| Catalog No. | 2A-9051564 |
| Chinese Name | 2-氯-6-(4,6-二甲氧嘧啶-2-硫基)苯甲酸 |
| Synonyms | 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid; Pyrithiobac; 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid; pyrithyiobac; UNII-3327Q8RB9O; 2-chloro-6-[(4,6-dimethoxy-2pyrimidinyl)thio]benzoic acid; 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid; 6-chloro-2-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid; 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid; 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate; Pyrithiobac [ISO]; 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid; 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid |
| Molecular Formula | C13H11ClN2O4S |
| Molecular Weight | 326.76 |
| Purity | 98.00 |
| Density | 1.51 |
| Boiling Point | 546.4ºC at 760 mmHg |
| Melting Point | 148-151ºC |
| MDL Number | MFCD13194969 |
| SMILES | COc1cc(OC)nc(Sc2cccc(Cl)c2C(O)=O)n1 |
| InChI | 1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18) |
| InChI Key | QEGVVEOAVNHRAA-UHFFFAOYSA-N |
| Beilstein/REAXYS | 10501383 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/51564_1_123342_93_8.pdf |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (2-Chloro-6-[(4,6- dimethoxy-2-pyrimidinyl)thio]benzoic acid) IMDG Code: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (2-Chloro-6-[(4,6- dimethoxy-2-pyrimidinyl)thio]benzoic acid) International Air Transport Hazardous Regulations: Environmentally hazardous substance, solid, n.o.s. (2-Chloro-6-[(4,6-dimethoxy-2- pyrimidinyl)thio]benzoic acid) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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