Ethyl thiocyanate

HCID 10968CAS 542-90-5

기본 정보

표준 SMILES
CCSC#N
InChIKey
WFCLYEAZTHWNEH-UHFFFAOYSA-N
분자식
C3H5NS
평균 분자량
87.15 g/mol
단동위원소 질량
87.01427016

개요

Ethylthiocyanate is a liquid. Used as an agricultural insecticide. (EPA, 1998)

이름 및 식별자

우선 이름
Ethyl thiocyanate
IUPAC
ethyl thiocyanate
영어명
Ethylthiocyanate
분자식
C3H5NS
분자량
87.14

이름 및 동의어

ETHYL THIOCYANATE542-90-5EthylthiocyanateThiocyanic acid, ethyl esterEthyl rhodanateEthyl sulfocyanateAethylrhodanidEthyl rhodanideEthane, thiocyanato-Ethylthiokyanat(ethylsulfanyl)carbonitrileThiocyanic Acid Ethyl Ester
이름 더 보기
ai3-18429ethyl rhodonateethyl thiocyanidethiocyanato-ethanethyl sulfocyanide
MFCD00001834PF9AD5G86ZNSC-8827Aethylrhodanid [German]Ethylthiokyanat [Czech]HSDB 6394NSC 8827EINECS 208-833-3

데이터베이스 식별자

CAS
542-90-5
PubChem CID
10968
DTXSID
DTXSID7060259
UNII
PF9AD5G86Z
EC Number
208-833-3
Nikkaji
J1.602K

물성

구조 계산 물성

XLogP
1.3
극성 표면적
49.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
5

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
PesticidesPesticides -> Other Insecticides
Density · 3건

1.007 at 73.4 °F (EPA, 1998) - Denser than water; will sink

1.0071 @ 23 °C

1.020 @ 16°C

Color/FormVolatile liquid
SolubilityInsoluble in water; miscible in ethanol, ethyl ether; soluble in chloroform
Boiling Point · 3건

295 °F at 760 mmHg (EPA, 1998)

146 °C

145 °C @760 [mm Hg]

물리화학적 성질

녹는점
-85.5 °C · -85.5°C
끓는 점
145 °C · 145 °C(lit.)
밀도
1.012 g/mL · 1.012 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.462(lit.)
인화점
109 °F · 109 °F
저장 조건
Flammables area

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Thiocyanic acid, ethyl ester

Ethyl thiocyanate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison Flammable Liquid
Fire HazardsWhen heated to decomposition, it emits very toxic fumes of oxides of nitrogen and sulfur. (EPA, 1998)
Health HazardsThis material is highly toxic if ingested. (EPA, 1998)
Hazards Summary · 1건

In high-dose animal studies, causes somnolence, convulsions, ataxia, paralysis, and changes to the liver and kidneys; [RTECS] Thiocyanates are goitrogenic; [HSDB] A severe irritant capable of causing serious injury in high concentrations; A lachrymator; Effects in high-dose animal studies include convulsions; [MSDSonline] See CYANIDES.

Reactive GroupIsocyanates and Isothiocyanates

안전 및 보호

Fire Fighting · 1건

(Non-Specific -- Pesticide, Liquid, n.o.s.) Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Ventilate closed spaces before entering them. Wear positive pressure breathing apparatus and special protective clothing. Move container from fire area if you can do it without risk. Fight fire from maximum distance. Dike fire control water for later disposal; do not scatter the material.

First AidNote: Ethylthiocyanate is very readily absorbed through the skin.
Nonfire Spill Response · 1건

(Non-Specific -- Pesticide, Liquid, n.o.s.) Do not touch spilled material; stop leak if you can do so without risk. Use water spray to reduce vapors. For small spills, absorb with sand or other noncombustible absorbent material and place into containers for later disposal. For large spills, dike far ahead of spill for later disposal. (EPA, 1998)

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Protective Action Criteria (PAC) · 3건

1.5 [mg/m3]

17 [mg/m3]

84 [mg/m3]

독성 정보

Treatment · 1건

Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)

InteractionsThe thiocyanates have synergistic insecticidal effects in combination with DDT, carbaryl and organophosphates like parathion. /Aliphatic thiocyanates/
Health Effects · 1건

Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 15(SRC), determined from a structure estimation method(2), indicates that ethyl thiocyanate is expected to have very high mobility in soil(SRC). Volatilization of ethyl thiocyanate from moist soil surfaces may be important(SRC) given an estimated Henry's Law constant of 5.82X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of ethyl thiocyanate from dry soil surfaces may exist(SRC) based on an estimated vapor pressure of 5 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data for ethyl thiocyanate are not readily available(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 15(SRC), determined from a structure estimation method(2), indicates that ethyl thiocyanate is not expected to adsorb to suspended solids and sediment in water(SRC). Ethyl thiocyanate may volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 5.82X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake are 16.8 hours and 191.1 hours, respectively(3,SRC). According to a classification scheme(5), an estimated BCF of 5.0(3,SRC), from an estimated log Kow of 1.22(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC). Biodegradation data for ethyl thiocyanate are not readily available(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyl thiocyanate, which has an estimated vapor pressure of 4.8 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl thiocyanate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 2.2 days(3,SRC).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesOral (L96) ; inhalation (L96) ; dermal (L96)

규제 정보

CERCLA Reportable Quantities · 1건

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Ethylthiocyanate is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 10,000 lbs.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XK9900000
ridadr
UN 2929 6.1/PG 2
HS 번호
29309070
risk_code
10-20/21/22-36/37/38

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Organic nitriles are converted into cyanide ions through the action of cytochrome P450 enzymes in the liver. Cyanide is rapidly absorbed and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)

용도 및 제조

Uses · 5건

Used as agricultural insecticide; as insecticidal fumigant; [HSDB]

Farming (Pesticides) [Category: Industry]

Agricultural insecticide

Sometimes employed as insecticidal fumigants.

The thiocyanates have also been used on the skin as delousing preparations and as livestock sprays. /Aliphatic thiocyanates/

General Manufacturing InformationThiocyanic acid, ethyl ester: ACTIVE

응용 분야

용도Ethyl thiocyanate was used in the synthesis of hydrogen cyanide by undergoing in situ reduction with dithiothreitol.

일반 설명Liquid. Used as an agricultural insecticide.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]

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