2,6-디클로로아닐린
2,6-Dichloroaniline
기본 정보
- CAS
608-31-1- 표준 SMILES
Nc1c(Cl)cccc1Cl- InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N- 분자식
- C6H5Cl2N
- 평균 분자량
- 162.01 g/mol
- 단동위원소 질량
- 160.9799046
개요
2,6-dichloroaniline is a dichloroaniline.
이름 및 식별자
- 우선 이름
- 2,6-Dichloroaniline
- IUPAC
- 2,6-dichloroaniline
- 현지명
- 2,6-디클로로아닐린
- 영어명
- 2,6-Dichloroaniline
- 분자식
- C6H5Cl2N
- 분자량
- 162.02
이름 및 동의어
2,6-DICHLOROANILINEBenzenamine, 2,6-dichloro-2,6-dichlorobenzenamine2,6-dichlorophenylamine2,6-DichloranilinANILINE, 2,6-DICHLORO-KG3RW7NW6MDICHLOROANILINE, 2,6-DTXSID5044449CHEBI:46630CLONIDINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)CLONIDINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
이름 더 보기
2,6-디클로로아닐린2,6-디클로로아닐린(2,6-DICHLOROANILINE)2,6-DCA2,6-dichloroAURORA KA-6872.6-Dichloroan6-Dichloroaniline2,6 DICHLORANILINE2,6-ChloroAniline.
RefChem:83179DTXCID3024449210-160-5InChI=1/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HJDMFXJULNGEPOI-UHFFFAOYSA-N608-31-1Clonidine EP Impurity CMFCD00007675
데이터베이스 식별자
- CAS
608-31-1- PubChem CID
- 11846
- DTXSID
DTXSID5044449- ChEMBL
CHEMBL28368- ChEBI
CHEBI:46630- UNII
- KG3RW7NW6M
- EC Number
- 210-160-5
- Nikkaji
- J134.696B
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 87.1
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.71
SolubilitySolubility in water: poor
Flash Point>112 °C
Boiling Pointat 0.7kPa: 97 °C
Melting Point39 °C
Vapor DensityRelative vapor density (air = 1): 5.6
Physical DescriptionCOLOURLESS CRYSTALS.
물리화학적 성질
- 녹는점
- 36 · 36-38 °C (lit.)
- 끓는 점
- 228 °C · 228 °C
- 밀도
- 1 · 1,275 g/cm3
- 증기압
- 0.5 hPa · <0.5 hPa ( 20 °C)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 인화점
- 230 °F · >230 °F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301+H311+H331 (73.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 13 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: Benzenamine, 2,6-dichloro-
Benzenamine, 2,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-dichloro- 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)
REACH registered substance: 2,6-dichloroaniline (EC: 210-160-5)
2,6-Dichloroaniline: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Dichloroanilines: Human health tier II assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC ClassificationSymbol: T, N; R: 23/24/25-33-50/53; S: (1/2)-28-36/37-45-60-61; Note: C
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II
Chemical DangersDecomposes on burning. This produces toxic fumes of nitrogen oxides and hydrogen chloride (see ICSC 0163).
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzenamine, 2,6-dichloro-: ACTIVE
응용 분야
용도2,6-Dichloroaniline is used in the pharmaceutical industry for the synthesis of antibacterial agents of lomefloxacin, Lee uric acid and clonidine.
상·하류 제품 정보
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