CAS No.78-48-8,1,2,4-Tributylphosphorotrithioate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	78-48-8
Name:	1,2,4-Tributylphosphorotrithioate
Article Data:	10

Formula:	C12H27 O P S3
Molecular Weight:	314.518
Synonyms:	Butylphosphorotrithioate (6CI); B 1,776; Butiphos; Butyl phosphorotrithioate((BuS)3PO); Chemagro B 1776; DEF; DEF 6; DEF Defoliant; De-Green; Fos-Fall A;Fosfall; S,S,S-Tributyl phosphorotrithioate; S,S,S-Tributyl trithiophosphate;TBPT; TBTP; Tribufos
EINECS:	201-120-8
Density:	1.074 g/cm³
Melting Point:	Below -25oC
Boiling Point:	407.8 °C at 760 mmHg
Flash Point:	200.4 °C
Hazard Symbols:
Risk Codes:	R24/25
Safety:	A poison by ingestion, skin contact, and intraperitoneal routes. Experimental reproductive effects. Animal experiments show an anti-cholinesterase effect. When heated to decomposition it emits toxic fumes of PO_x and SO_x. See also PARATHION, PHOSPHATES, ESTERS, and SULFATES.
Transport Information:	UN 2811
PSA:	102.78000
LogP:	6.69440

Synthetic route

: 109-79-5
1-butanethiol

: 78-48-8
S,S,S-tributylphosphorotrithioate

Conditions

Conditions	Yield
Stage #1: n-butanethiol With phosphorus; potassium hydroxide In dimethyl sulfoxide; toluene at 20℃; for 7h; Schlenk technique; Stage #2: With dihydrogen peroxide In dimethyl sulfoxide; toluene at 20℃; for 0.5h; Schlenk technique;	83%
(i) phosphorus, nBuSNa, CCl4, (ii) aq. H2O2, AcOH; Multistep reaction;

: 78-48-8
S,S,S-tributylphosphorotrithioate

: 104-15-4
toluene-4-sulfonic acid

: 28519-31-5
4-Methylbenzolthiosulfonsaeure-S-butylester

Conditions

Conditions	Yield
In benzene for 15h; Heating;	21%

: 78-48-8
S,S,S-tributylphosphorotrithioate

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With methanol; 5,5'-dithiobis-(2-nitrobenzoic acid); Sphingobium sp. TCM1 phosphotriesterase; manganese(ll) chloride In aq. buffer at 30℃; pH=8; Kinetics; Enzymatic reaction;

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Chemistry

Molecular Formula: C₁₂H₂₇OPS₃
Molar mass: 314.5109 g/mol
EINECS: 201-120-8
Density: 1.074 g/cm³
Flash Point: 200.4 °C
Index of Refraction: 1.516
Boiling Point: 407.8 °C at 760 mmHg
Vapour Pressure: 1.73E-06 mmHg at 25°C
Storage temp: 0-6°C
Product categories of Butyl phosphorotrithioate (78-48-8): Method Specific;Oeko-Tex Standard 100;Pesticides;Plant growth regulators
Structure of Butyl phosphorotrithioate (78-48-8):

XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: 1-Bis(butylsulfanyl)phosphorylsulfanylbutane
SMILES: O=P(SCCCC)(SCCCC)SCCCC
InChI: InChI=1/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
InChIKey: ZOKXUAHZSKEQSS-UHFFFAOYAN
Std. InChI: InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
Std. InChIKey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
chicken	LDLo	skin	1gm/kg (1000mg/kg)	SPINAL CORD: DEMYELINATION BEHAVIORAL: ATAXIA	Toxicology and Applied Pharmacology. Vol. 48, Pg. A195, 1979.
guinea pig	LD50	intraperitoneal	150mg/kg (150mg/kg)	BEHAVIORAL: REGIDITY BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	AMA Archives of Industrial Health. Vol. 20, Pg. 161, 1959.
guinea pig	LD50	oral	140mg/kg (140mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982.
mammal (species unspecified)	LD50	unreported	170mg/kg (170mg/kg)		"Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 376, 1971.
mouse	LCLo	inhalation	3804mg/m3/1H (3804mg/m3)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 199, 1969.
mouse	LD50	intraperitoneal	285mg/kg (285mg/kg)		Biochemical Pharmacology. Vol. 12, Pg. 73, 1963.
mouse	LD50	oral	77mg/kg (77mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1188, 1986.
rabbit	LD50	oral	242mg/kg (242mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: INCONTINENCE	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 11(4), Pg. 11, 1967.
rabbit	LD50	skin	97mg/kg (97mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982.
rat	LD50	intraperitoneal	210mg/kg (210mg/kg)	BEHAVIORAL: REGIDITY BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	AMA Archives of Industrial Health. Vol. 20, Pg. 161, 1959.
rat	LD50	oral	150mg/kg (150mg/kg)		Toxicology and Applied Pharmacology. Vol. 14, Pg. 515, 1969.
rat	LD50	skin	168mg/kg (168mg/kg)		World Review of Pest Control. Vol. 9, Pg. 119, 1970.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by ingestion, skin contact, and intraperitoneal routes. Experimental reproductive effects. Animal experiments show an anti-cholinesterase effect. When heated to decomposition it emits toxic fumes of PO_x and SO_x. See also PARATHION, PHOSPHATES, ESTERS, and SULFATES.

Hazard Codes: T
Risk Statements:
24: Toxic in contact with skin
25: Toxic if swallowed
Safety Statements:
36: Wear suitable protective clothing
37: Wear suitable gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Specification

Butyl phosphorotrithioate (78-48-8) also can be called Butyphos ; S,S,S-Tributyltrithiophosphat ; Phosphorotrithioic acid, S,S,S-tributyl ester ; Merphos oxide and Butifos .