3,4-Difluorobenzene-1,2-diamine

HCID 2736753CAS 153505-39-6

기본 정보

표준 SMILES: Nc1ccc(F)c(F)c1N
InChIKey: QILZDWMMWFCBPW-UHFFFAOYSA-N
분자식: C6H6F2N2
평균 분자량: 144.12 g/mol
단동위원소 질량: 144.04990452

이름 및 식별자

우선 이름: 3,4-Difluorobenzene-1,2-diamine
IUPAC: 3,4-difluorobenzene-1,2-diamine
영어명: 2,3-DIFLUORO-6-NITROANILINE
분자식: C6H6F2N2
분자량: 144.12

이름 및 동의어

3,4-difluorobenzene-1,2-diamine153505-39-6DTXSID90371574RefChem:270924DTXCID50322608671-859-21,2-DIAMINO-3,4-DIFLUOROBENZENE5,6-Difluorobenzene-1,2-diamineMFCD001531281,2-Benzenediamine, 3,4-difluoro-3,4-DIFLUORO-1,2-PHENYLENEDIAMINESCHEMBL102594

이름 더 보기

BUTTPARK 14\01-66BUTTPARK 15\01-971,2-Diamino-3,4-difluoro3-DIFLUORO-6-NITROANILINE2,3-Difluoro-6-nitroaniline98%3,4-Difluorophenylene-1,2-diamine

CHEMBL1650254QILZDWMMWFCBPW-UHFFFAOYSCHEMBL30636514QILZDWMMWFCBPW-UHFFFAOYSA-N1,2-diamino-3,4-difluoro-benzene3,4-difluoro-benzene-1,2-diamineSBB086331TD1216

데이터베이스 식별자

CAS: 153505-39-6
PubChem CID: 2736753
DTXSID: DTXSID90371574
ChEMBL: CHEMBL1650254
EC Number: 671-859-2

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 114.7 · 114.7-117.2°C
끓는 점: 258 ℃ · 258℃
밀도: 1.407 · 1.407
인화점: 114 ℃ · 114℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 3.2 · 3.20±0.10(Predicted)
InChI: InChI=1S/C6H6F2N2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,9-10H2
InChIKey: QILZDWMMWFCBPW-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(F)=C1N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.