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기본 정보
- CAS
102-08-9- 표준 SMILES
S=C(Nc1ccccc1)Nc1ccccc1- InChIKey
FCSHMCFRCYZTRQ-UHFFFAOYSA-N- 분자식
- C13H12N2S
- 평균 분자량
- 228.31 g/mol
- 단동위원소 질량
- 228.07211938
개요
Thiocarbanilide is a white to off-white powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Diphenylthiourea
- IUPAC
- 1,3-diphenylthiourea
- 현지명
- N,N'-디페닐티오요소
- 영어명
- 1,3-Diphenyl-2-thiourea
- 분자식
- C13H12N2S
- 분자량
- 228.31
이름 및 동의어
Thiocarbanilide102-08-9N,N'-DIPHENYLTHIOUREA1,3-Diphenyl-2-thioureaDiphenylthioureaSulfocarbanilideThiourea, N,N'-diphenyl-Stabilisator Csym-DiphenylthioureaRhenocure CAVulkacit CANocceler C
이름 더 보기
N,N'-디페닐티오요소티오카르브아닐리드1,3-DIPHENYLTHIOUREADFTActivitnoccelercN,N´Anchoracel
s-DiphenylthiocarbamideCarbanilide, thio-ThiokarbanilidUSAF EK-245N,N'-DiphenylthiocarbamideDPTUDTXSID4026139Urea, 1,3-diphenyl-2-thio-
데이터베이스 식별자
- CAS
102-08-9- PubChem CID
- 700999
- DTXSID
DTXSID4026139- ChEMBL
CHEMBL275260- ChEBI
CHEBI:138412- UNII
- 9YCB5VR86Z
- EC Number
- 203-004-2
- Nikkaji
- J64.497H
물성
구조 계산 물성보충 중
- XLogP
- 2.2
- 극성 표면적
- 56.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 196
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Thiourea Compounds
SpringerMaterials PropertiesCrystal structure
Density
1.32 (NTP, 1992) - Denser than water; will sink
1.32
Color/Form
CRYSTALLINE LEAFLETS
GRAY POWDER
WHITE TO FAINT GRAY POWDER
Solubility
less than 0.1 mg/mL at 66 °F (NTP, 1992)
ALMOST INSOL IN WATER; FREELY SOL IN ALC, ETHER
VERY SOL IN CHLOROFORM & OLIVE OIL
Boiling Point
Decomposes (NTP, 1992)
BP: DECOMP
DecompositionWHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF SO(X).
Melting Point
309 °F (NTP, 1992)
154 °C
Vapor Pressure0.00000594 [mmHg]
Food Contact Substances
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (17.3%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 248 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Thiourea, N,N'-diphenyl-
Thiourea, N,N'-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiourea, N,N'-diphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 23-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11688
1,3-Diphenylthiourea: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Fire PotentialCOMBUSTIBLE.
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits highly toxic fumes. (NTP, 1992)
Hazards SummaryCauses convulsions in oral lethal-dose studies of cats and cyanosis in oral lethal-dose studies of rabbits; [RTECS] An irritant; [Alfa Aesar MSDS]
화학 및 산업
약리 정보
Metabolism/Metabolites1,3-DIPHENYLTHIOUREA YIELDS 1-(P-HYDROXYPHENYL)-3-PHENYLTHIOUREA IN RABBIT: WILLIAMS, RT, BIOCHEM J, 80, 1 PAGE (1961). /FROM TABLE/
용도 및 제조
Uses
Used as a vulcanizing accelerator, flotation agent, acid inhibitor, and intermediate; Also used in sulfur dyes, pharmaceuticals, surgical scrubs, and antiseptic skin cleansers; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
VULCANIZING ACCELERATOR; SULFUR DYES
INTERMEDIATES; SYNTHETIC ORG PHARMACEUTICALS; FLOTATION AGENT; ACID INHIBITOR
U.S. Production2023: 70,127 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
Methods of ManufacturingFROM ANILINE & CARBON DISULFIDE: FRY, J AM CHEM SOC 35, 1539 (1913); STASSE, US PATENT 2,435,295 (1948 TO ALLIED CHEM & DYE); FROM POTASSIUM ETHYLXANTHATE & ANILINE: ARAVINDAKSKAN ET AL, INDIAN J CHEM 1(9), 395 (1963).
General Manufacturing Information
Rubber Product Manufacturing
Thiourea, N,N'-diphenyl-: ACTIVE
TESTED AS A FUNGICIDE ON ASPERGILLUS NIGER & FUSARIUM OXYSPORUM IN VITRO.
TESTED AS AN INSECTICIDE AGAINST COTTON LEAFWORM LARVAE (SPODOPTERA LITTORALIS) & MOSQUITO (CULEX PIPIENS).
USED IN SURGICAL SCRUBS, ANTISEPTIC SKIN CLEANSERS & HAND LOTIONS.
INHIBITORY ACTION BY THE THIOCARBANILIDE DERIV AW 16' 1989 UPON MYCOBACTERIUM TUBERCULOSIS, M KANSASII & M MARINUM WAS STUDIED. MYCOBACTERIUM TUBERCULOSIS & M KANSASII WERE INHIBITED BY AW 16' 1989 BUT M MARINUM WAS NOT INHIBITED.
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