기본 정보
- CAS
24966-39-0- 표준 SMILES
Sc1c(Cl)cccc1Cl- InChIKey
JBISHCXLCGVPGW-UHFFFAOYSA-N- 분자식
- C6H4Cl2S
- 평균 분자량
- 179.07 g/mol
- 단동위원소 질량
- 177.9410767
이름 및 식별자
- 우선 이름
- Benzenethiol, 2,6-dichloro-
- IUPAC
- 2,6-dichlorobenzenethiol
- 영어명
- 2,6-DICHLOROTHIOPHENOL
- 분자식
- C6H4Cl2S
- 분자량
- 179.07
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
24966-39-0- PubChem CID
- 90671
- DTXSID
DTXSID60179680- EC Number
- 416-720-7、670-334-5
- Nikkaji
- J208.436H
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 87
물리화학적 성질
- 녹는점
- 48 · 48-50 °C(lit.)
- 끓는 점
- 119 · 119-120 °C (10 mmHg)
- 밀도
- 1.3905 · 1.3905 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 5.17 · 5.17±0.50(Predicted)
- BRN
- 2082400 · 2082400
- InChI
- InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
- InChIKey
- JBISHCXLCGVPGW-UHFFFAOYSA-N
- SMILES
- C1(S)=C(Cl)C=CC=C1Cl
화학적 성질
yellow crystals or chunks
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3625
2,6-Dichlorothiophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (25%);Acute Tox. 4 (25%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (25%);STOT SE 3 (75%)
Acute Tox. 4 (14.3%);Acute Tox. 4 (14.3%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (14.3%);STOT SE 3 (100%)
규제 정보
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3625
2,6-Dichlorothiophenol: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- 독성
- LD50 orally in Rabbit: 2400 mg/kg
- HS 번호
- 29309090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-37/39-36
- 포장분류
- III
- 위험 참고 사항
- Harmful/Stench
화학 및 산업
상·하류 제품 정보
하류 제품
공급사100 곳
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