기본 정보
- 표준 SMILES
c1ccc2c(c1)Oc1ccccc1S2- InChIKey
GJSGGHOYGKMUPT-UHFFFAOYSA-N- 분자식
- C12H8OS
- 평균 분자량
- 200.26 g/mol
- 단동위원소 질량
- 200.02958588
개요
Yellowish-white solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Phenoxathiin
- IUPAC
- phenoxathiine
- 영어명
- PHENOXATHIIN
- 분자식
- C12H8OS
- 분자량
- 200.26
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
262-20-4- PubChem CID
- 9217
- DTXSID
DTXSID4024937- ChEMBL
CHEMBL82492- UNII
- BJC51V8XW8
- EC Number
- 205-975-8
- Nikkaji
- J5.445C
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 34.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 186
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 52 · 52-56 °C(lit.)
- 끓는 점
- 150 · 150-152 °C5 mm Hg(lit.)
- 밀도
- 1.278 · 1.278
- 굴절률
- 1.609 · 1.6090 (estimate)
- 인화점
- 150 · 150-152°C/5mm
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- MeOH에서 침전된 색다른 결정
- BRN
- 143232 · 143232
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
- InChIKey
- GJSGGHOYGKMUPT-UHFFFAOYSA-N
- SMILES
- C1=C2C(OC3=C(S2)C=CC=C3)=CC=C1
- EPA
- Phenoxathiin (262-20-4)
화학적 성질
light yellow solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phenoxathiin
Phenoxathiin: 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.
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SP6825000
- 독성
- LD50 ipr-mus: 200 mg/kg NTIS** AD277-689
- HS 번호
- 29349990
- risk_code
- 36/37/38
- safety_code
- 24/25
- F 고인화성물질
- 10-23
화학 및 산업
용도 및 제조
응용 분야
일반 설명Yellowish-white solid.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
불러오는 중…