기본 정보
- CAS
1918-13-4- 표준 SMILES
NC(=S)c1c(Cl)cccc1Cl- InChIKey
KGKGSIUWJCAFPX-UHFFFAOYSA-N- 분자식
- C7H5Cl2NS
- 평균 분자량
- 206.09 g/mol
- 단동위원소 질량
- 204.9519757
개요
2,6-dichlorothiobenzamide is a dichlorobenzene compound that is 1,3-dichlorobenzene in which the hydrogen atom at position 2 is substituted by a thioamide group. A proherbicide used to control a wide range of broad-leaved and grass weeds. It has a role as a proherbicide and an agrochemical. It is a dichlorobenzene and a thiocarboxamide.
이름 및 식별자
- 우선 이름
- Chlorthiamid
- IUPAC
- 2,6-dichlorobenzenecarbothioamide
- 현지명
- 클로르티아마이드
- 영어명
- 2,6-Dichlorothiobenzamide
- 분자식
- C7H5Cl2NS
- 분자량
- 206.09
이름 및 동의어
CHLORTHIAMID2,6-Dichlorothiobenzamide1918-13-42,6-DichlorobenzenecarbothioamideChlorthiamidePrefixDCBNBenzenecarbothioamide, 2,6-dichloro-Benzamide, 2,6-dichlorothio-DTXSID40417835JVN5HGD7SSD-7961
이름 더 보기
클로르티아마이드클로르티아마이드(CHLORTHIAMID)sd7961Prefix[R]chlorthiamiCHLOROTHIAMID
DTXCID2021783DCTBARefChem:125586217-637-7ChlorothiamideChlorthioamideChlortiamid2,6-Dichlor-thiobenzamid
데이터베이스 식별자
- CAS
1918-13-4- PubChem CID
- 2734819
- DTXSID
DTXSID4041783- ChEMBL
CHEMBL3188781- ChEBI
CHEBI:949- UNII
- 5JVN5HGD7S
- EC Number
- 217-637-7
- Nikkaji
- J3.687K
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 58.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 153
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
SolubilitySolubility in water, g/100ml at 21 °C: 0.095
Melting Point151-152 °C
Vapor PressureVapor pressure, Pa at 20 °C:
Physical DescriptionOFF-WHITE SOLID IN VARIOUS FORMS.
Collision Cross Section135.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4041783]
물리화학적 성질
- 녹는점
- 151 · 151-152°C
- 끓는 점
- 320.6 · 320.6±52.0 °C(Predicted)
- 밀도
- 1.4704 · 1.4704 (rough estimate)
- 굴절률
- 1.63 · 1.6300 (estimate)
- 인화점
- 100 °C · >100 °C
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
2002/2076
Chlorothiamid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzenecarbothioamide, 2,6-dichloro-: Human health tier I assessment
Fire HazardsNot combustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC ClassificationSymbol: Xn; R: 22; S: (2)-36
Chemical DangersDecomposes on heating and on burning. This produces toxic and corrosive fumes including hydrogen chloride, nitrogen oxides and sulfur oxides. Reacts with bases. This produces dichlorobenil.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 및 보호
화학 및 산업
공급사34 곳
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