2,4-Dichloro-6-nitroaniline

TIMTEC-BB SBB003479 · 4,6-DICHLORO-2-NITROANILINE · 2,4-DICHLORO-6-NITROANILINE · 2-Nitro-4,6-dichloroaniline · 2,4-Dichloro-6-nitroaniline,99% · 2,4-DICHLORO-6-NITROANILINE 99% · 2,4-DICHLORO-6-NITROBENZENAMINE · 2,4-DICHLORO-6-NITRO-PHENYLAMINE

https://huagongshe.com/ko/chemical/75893

식별자 및 물리적 특성

CAS No.	2683-43-4
분자식	C6H4Cl2N2O2
평균 분자량	207.01 g/mol
단동위원소 질량	205.96498273 g/mol
SMILES	Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
InChIKey	IZEZAMILKKYOPW-UHFFFAOYSA-N
PubChem CID	75893
ChEMBL	CHEMBL3187155
EC No.	220-241-7
DTXSID	DTXSID4041361

화학 및 물리적 성질

XLogP	2.9
극성 표면적	71.8
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	185
SpringerMaterials Properties	Diamagnetic susceptibility
Collision Cross Section	131.4 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4041361]
녹는점	101-103 °C (lit.)
끓는 점	360.98°C (rough estimate)
밀도	1.6257 (rough estimate)
굴절률	1.6100 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	pK1:-3.00(+1) (25°C)
색상	노란색에서 매우 어두운 노란색까지
BRN	642902
InChI	1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChIKey	IZEZAMILKKYOPW-UHFFFAOYSA-N
SMILES	Nc1c(Cl)cc(Cl)cc1[N+]([O-])=O
EPA	2,4-Dichloro-6-nitroaniline (2683-43-4)

화학적 성질

YELLOW FLUFFY POWDER

안전 및 규제

GHS 분류	DangerH300 (88.9%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 1 (88.9%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2811 6.1/PG 3
위험 문구(R)	20/21/22-36/37/38-51/53-33-26/27/28
위험 표시	Xn,N,T+
안전 문구(S)	26-37/39-61-45-36/37-28
포장분류	III
위험 등급	6.1Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Chronic 2STOT RE 2
저장 분류	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

용도

2,4-Dichloro-6-nitroaniline was used to design a faster-reacting, more intensely fluorescent pH probe based on rhodamine spirolactam structure.