기본 정보
- 표준 SMILES
Nc1ccc(F)cc1F- InChIKey
CEPCPXLLFXPZGW-UHFFFAOYSA-N- 분자식
- C6H5F2N
- 평균 분자량
- 129.11 g/mol
- 단동위원소 질량
- 129.0390056
개요
2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2,4-Difluoroaniline
- IUPAC
- 2,4-difluoroaniline
- 현지명
- 2,4-디플루오로아닐린
- 영어명
- 2,4-Difluoroaniline
- 분자식
- C6H5F2N
- 분자량
- 129.11
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
367-25-9- PubChem CID
- 9709
- DTXSID
DTXSID6025064- ChEMBL
CHEMBL1423658- UNII
- 40P93L7KWD
- EC Number
- 206-687-5
- Nikkaji
- J193.875D
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 97.1
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -7.5 °C · -7.5 °C (lit.)
- 끓는 점
- 170 °C/753 · 170 °C/753 mmHg (lit.)
- 밀도
- 1.268 g/mL · 1.268 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.506(lit.)
- 인화점
- 145 °F · 145 °F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 어렵거나 섞일 수 없음
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 3.26 · 3.26±0.10(Predicted)
- Specific Gravity
- 1.284 · 1.284 (20/4℃)
- 색상
- 클리어 브라운
- 수용성
- 20.55 · 20.55&C에서 1-5g/100mL
- Merck
- 14 · 14,3147
- BRN
- 2802556 · 2802556
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제, 산, 산 염화물, 산 무수물과 호환되지 않습니다.
- InChI
- 1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChIKey
- CEPCPXLLFXPZGW-UHFFFAOYSA-N
- SMILES
- Nc1ccc(F)cc1F
- LogP
- 1.7 at · 1.7 at 25℃ and pH5-9
- NIST
- 2 · 2,4-Difluoroaniline(367-25-9)
- EPA
- 2 · 2,4-Difluoroaniline (367-25-9)
화학적 성질
dark red liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenamine, 2,4-difluoro-
Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24338
Benzenamine, 2,4-difluoro-: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Anilines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated 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
- 1
- tsca
- TSCA listed
- rtecs
- BX3680000
- ridadr
- UN 2941 6.1/PG 3
- HS 번호
- 29214210
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T,Xi
- safety_code
- 28-36/37/39-26-36
- 포장분류
- III
- 위험 등급
- 6.1
- F 고인화성물질
- 8-9-23
- 위험 참고 사항
- Toxic
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
응용 분야
용도2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
일반 설명Dark reddish-purple liquid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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