기본 정보
- 표준 SMILES
Nc1c(Cl)cccc1Cl- InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N- 분자식
- C6H5Cl2N
- 평균 분자량
- 162.01 g/mol
- 단동위원소 질량
- 160.97990452
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-DichloranilinKG3RW7NW6MANILINE, 2,6-DICHLORO-DICHLOROANILINE, 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-N608-31-1MFCD000076752,6-dichloro aniline
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
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
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 1.6 g/L · 1.6g/L
- 산도 계수 (pKa)
- 0.71 · 0.71±0.10(Predicted)
- 물리적 상태
- 결정질 고체
- 색상
- 흰색에서 갈색으로
- 냄새
- Aromatic odor
- 수용성
- 1.6 g/L · 1.6g/L(20℃)
- BRN
- 775084 · 775084
- InChI
- 1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
- InChIKey
- JDMFXJULNGEPOI-UHFFFAOYSA-N
- SMILES
- Nc1c(Cl)cccc1Cl
- NIST
- 2 · Benzenamine, 2,6-dichloro-(608-31-1)
- EPA
- 2 · 2,6-Dichloroaniline (608-31-1)
화학적 성질
white to brown crystalline solid
안전 및 규제
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)
Status: Active Update: 06-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18990
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).
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and Categories
Acute Tox. 3 (98.2%)
Acute toxicity - category 3
안전 및 보호
Fire FightingUse water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .
Safe StorageSeparated from strong oxidants and food and feedstuffs. Provision to contain effluent from fire extinguishing.
Spillage Disposal
Personal protection: chemical protection suit including self-contained breathing apparatus. Remove all ignition sources. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. Carefully collect remainder. Then store and dispose of according to local regulations.
Eye PreventionWear safety goggles or face shield.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work. Wash hands before eating.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the blood. This may result in the formation of methaemoglobin.
독성 정보
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms
Blue lips, fingernails and skin. Dizziness. Headache. Nausea. Shortness of breath. Confusion. Convulsions. Unconsciousness.
MAY BE ABSORBED! Further see Inhalation.
Redness. Pain.
Abdominal pain. Further see Inhalation.
ICSC Environmental DataThe substance is toxic to aquatic organisms.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CX9862655
- ridadr
- UN 3442 6.1/PG 2
- HS 번호
- 29214210
- risk_code
- 23/24/25-33-50/53
- hazard_code
- T,N,Xi
- safety_code
- 28-36/37-45-60-61-28A
- 포장분류
- II
- 위험 등급
- 6.1
- F 고인화성물질
- 8
- 위험 참고 사항
- Irritant
- 자연 발화 온도
- >600°C
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Aquatic Chronic 1Skin Sens. 1STOT RE 2
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
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
상류 원료
하류 제품
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