2,4-Dichloro-6-nitroaniline (HCID 75893)

Names & identifiers

Preferred name: 2,4-Dichloro-6-nitroaniline
IUPAC: 2,4-dichloro-6-nitroaniline
English name: 2,4-DICHLORO-6-NITROANILINE
Molecular formula: C6H4Cl2N2O2
Molecular weight: 207.01

Names & synonyms

2,4-Dichloro-6-nitroaniline2683-43-4Benzenamine, 2,4-dichloro-6-nitro-DTXSID40413617S7EH59H1XNSC-285822,4-Dichloro-6-nitrophenylamineDTXCID2021361RefChem:82363220-241-74,6-Dichloro-2-nitroaniline2-nitro-4,6-dichloroaniline

Show more names

TIMTEC-BB SBB0034792,4-Dichloro-6-nitroaniline,99%2,4-DICHLORO-6-NITROANILINE 99%2,4-DICHLORO-6-NITRO-PHENYLAMINE2,4-DICHLORO-6-NITROANILINE ISO 9001：2015 REACH

MFCD00007664UNII-7S7EH59H1X2,4-dichloro-6-nitrobenzenamine2,4-dichloro-6-nitro-anilineANILINE, 2,4-DICHLORO-6-NITRO-4,6-dichloro-2-nitrophenylamineNSC28582EINECS 220-241-7

Database identifiers

CAS: 2683-43-4
PubChem CID: 75893
DTXSID: DTXSID4041361
ChEMBL: CHEMBL3187155
UNII: 7S7EH59H1X
EC Number: 220-241-7
Nikkaji: J80.543B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Collision Cross Section131.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4041361]

Physicochemical properties

Melting point: 101 · 101-103 °C (lit.)
Boiling point: 360.98 °C · 360.98°C (rough estimate)
Density: 1.6257 · 1.6257 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
pka: 1 · pK1:-3.00(+1) (25°C)
color: Yellow to Very Dark Yellow
BRN: 642902 · 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
CAS DataBase Reference: 2683 · 2683-43-4(CAS DataBase Reference)
FDA UNII: 7 S7EH59H1X · 7S7EH59H1X
EPA Substance Registry System: 2 · 2,4-Dichloro-6-nitroaniline (2683-43-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 300 · H300+H310+H330-H373-H411
Precautionary statements: 262 · P262-P264-P273-P280-P302+P352+P310-P304+P340+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,N,T+
Risk Statements: 20 · 20/21/22-36/37/38-51/53-33-26/27/28
Safety Statements: 26 · 26-37/39-61-45-36/37-28
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 DermalAcute · Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Chronic 2STOT RE 2
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (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 information

Hazard Classes and CategoriesAcute Tox. 1 (88.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
risk_code: 20/21/22-36/37/38-51/53-33-26/27/28
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: Xn,N,T+
safety_code: 26-37/39-61-45-36/37-28
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
Hazard statements: H300+H310+H330-H373-H411
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Chronic 2STOT RE 2
Precautionary statements: P262-P264-P273-P280-P302+P352+P310-P304+P340+P310

Chemistry & industry

Applications

Uses2,4-Dichloro-6-nitroaniline was used to design a faster-reacting, more intensely fluorescent pH probe based on rhodamine spirolactam structure.