24934-91-6|dotan|Chlormefos|Chlormephos|Chlormethylfos|S-(Chloromethyl) O,O-diethyl...

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diethyl [(chloromethyl)sulfanyl](sulfanylidene)phosphonite: ChemBase ID: 126517; Molecular Formular: C5H12ClO2PS2; Molecular Mass: 234.704341; Monoisotopic Mass: 233.97048593
SMILES and InChIs

SMILES:
ClCSP(=S)(OCC)OCC
Canonical SMILES:
CCOP(=S)(SCCl)OCC
InChI:
InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
InChIKey:
QGTYWWGEWOBMAK-UHFFFAOYSA-N
Cite this record CBID:126517 http://www.chembase.cn/molecule-126517.html

NAMES AND DATABASE IDS

Names Database IDs

IUPAC name

diethyl [(chloromethyl)sulfanyl](sulfanylidene)phosphonite

IUPAC Traditional name

dotan

Synonyms

Chlormethylfos

Chlormephos

S-(Chloromethyl) O,O-diethyl phosphorodithioate

Chlormephos

Chlormefos

S-(氯甲基)-O,O-二乙基二硫代磷酸酯

氯甲磷

CAS Number

24934-91-6

EC Number

246-538-1

MDL Number

MFCD00055471

Beilstein Number

1680996

PubChem SID

24868861

162220850

PubChem CID

32739

Chemspider ID

30345

Wikipedia Title

Chlormephos

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

Data Source	Data ID
Sigma Aldrich	45386
PubChem	32739
Wikipedia	Chlormephos

Data Source

Data ID

Price

Sigma Aldrich

45386

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Data Source	Data ID
PubChem	32739
Wikipedia	Chlormephos

CALCULATED PROPERTIES

JChem

H Acceptors	0	H Donor	0
LogD (pH = 5.5)	2.7817404	LogD (pH = 7.4)	2.7817404
Log P	2.7817404	Molar Refractivity	56.3698 cm³
Polarizability	22.982882 Å³	Polar Surface Area	18.46 Å²
Rotatable Bonds	6	Lipinski's Rule of Five	true

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)

Flash Point

>100 °C	Show data source Sigma Aldrich - 45386
>212 °F	Show data source Sigma Aldrich - 45386

RTECS

TD5170000

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European Hazard Symbols

Nature polluting (N)	Show data source Sigma Aldrich - 45386
Highly toxic (T+)	Show data source Sigma Aldrich - 45386

UN Number

2810	Show data source Sigma Aldrich - 45386

MSDS Link

Download

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German water hazard class

3	Show data source Sigma Aldrich - 45386

Hazard Class

6.1	Show data source Sigma Aldrich - 45386

Packing Group

2	Show data source Sigma Aldrich - 45386

Risk Statements

27/28-50/53

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Safety Statements

27-28-36/37-45-60-61

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GHS Pictograms

	Show data source Sigma Aldrich - 45386
	Show data source Sigma Aldrich - 45386

GHS Signal Word

Danger

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GHS Hazard statements

H300-H310-H410

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GHS Precautionary statements

P264-P273-P280-P301 + P310-P302 + P350-P310

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Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

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RID/ADR

UN 2810 6.1/PG 2

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Storage Temperature

2-8°C

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Grade

PESTANAL®, analytical standard

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Empirical Formula (Hill Notation)

C5H12ClO2PS2