2,6-Difluoroaniline (HCID 79647)

이름 및 식별자

우선 이름: 2,6-Difluoroaniline
IUPAC: 2,6-difluoroaniline
현지명: 디플르오르아닐린(2,6-)
영어명: 2,6-Difluoroaniline
분자식: C6H5F2N
분자량: 129.11

이름 및 동의어

2,6-Difluoroaniline5509-65-9Benzenamine, 2,6-difluoro-2,6-DIFLUOROBENZENAMINEEINECS 226-853-0NSC 127234NSC-127234943G3H8895DTXSID2073350RefChem:83226DTXCID7041835226-853-0

이름 더 보기

2,6-다이플루오로아닐린디플르오르아닐린(2,6-)2,6-Difuluoroaniline2,6-DifluorophenylaMine2,6-DifluorobenzeneaMine26DFAJACS-5509-65-96-DifluoroanilineAbesili Impurity 8

InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HODUZJBKKYBQIBX-UHFFFAOYSA-N2,6-Difluoro-phenylamineMFCD000076552,6-Difluorobenzenamine; 2,6-Difluorobenzeneamine; 2,6-Difluorophenylamine; NSC 127234;NSC1272342,6 difluoroaniline2,6-diflouroaniline

데이터베이스 식별자

CAS: 5509-65-9
PubChem CID: 79647
DTXSID: DTXSID2073350
UNII: 943G3H8895
EC Number: 226-853-0
Nikkaji: J1.837F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

LogP1.61

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 51 · 51-52 °C/15 mmHg (lit.)
밀도: 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.508(lit.)
인화점: 110 °F · 110 °F
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 1.81 · 1.81±0.10(Predicted)
Specific Gravity: 1.28 · 1.28
색상: 투명한 노란색에서 갈색까지
수용성: 물에 약간 용해됩니다.
BRN: 2802697 · 2802697
안정성: 흡습성
InChI: 1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey: ODUZJBKKYBQIBX-UHFFFAOYSA-N
SMILES: Nc1c(F)cccc1F
NIST: 2 · 2,6-Difluoroaniline(5509-65-9)
EPA: 2 · 2,6-Difluoroaniline (5509-65-9)

화학적 성질

clear yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 133 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenamine, 2,6-difluoro-

Benzenamine, 2,6-difluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-difluoro- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29214210
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn,Xi,F
safety_code: 36-36/37/39-26-23-16-16/23/26/36/37/39-24/25
포장분류: III
위험 등급: 3
기존화학 물질: KE-10538
F 고인화성물질: 8-10-23
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Petrochemical Manufacturing

Benzenamine, 2,6-difluoro-: ACTIVE

응용 분야 · 2건

용도2,6-Difluoroaniline is an important chemical in the sythesis technology for high-efficiency insecticide.

용도2,6-Difluoroaniline and several related primary amines are oxidized in chloroform by peroxybenzoic acid to the corresponding nitroso compounds. For example, treatment of 2,6-difluoroaniline with sodium azide can obtain 4-fluoro-2,1,3-benzoxadiazole, and the product is nitrified to obtain 7-nitro derivatives[1]. 2,6-Difluoroaniline is an important raw material and intermediate in organic synthesis, medicine, pesticides, dyes and other fields.