Benzene, 1,3-dichloro-5-nitro- (HCID 12064)

Names & identifiers

Preferred name: Benzene, 1,3-dichloro-5-nitro-
IUPAC: 1,3-dichloro-5-nitrobenzene
English name: 3,5-Dichloronitrobenzene
Molecular formula: C6H3Cl2NO2
Molecular weight: 192

Names & synonyms

1,3-Dichloro-5-nitrobenzene3,5-Dichloronitrobenzene618-62-2Benzene, 1,3-dichloro-5-nitro-meta-Dichloronitrobenzenem-Dichloronitrobenzene3,5-DICHLORO-1-NITROBENZENE4VSD7Q7FUHNSC 53841EINECS 210-557-3NSC 60642NSC-53841

Show more names

Enalapril Impurity 155-nitro-m-dichlorobenzene1,3-dichloro-5-nitro-benzen3,5-Dichloronitrobenzene,98%3,5-Dichloronitrobenzene >

NSC-60642DTXSID1060683EC 210-557-3RefChem:562290DTXCID5043134210-557-3MFCD00007211Benzene,3-dichloro-5-nitro-

Database identifiers

CAS: 618-62-2
PubChem CID: 12064
DTXSID: DTXSID1060683
UNII: 4VSD7Q7FUH
EC Number: 210-557-3
Nikkaji: J2.085K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 64 · 64-65 °C(lit.)
Boiling point: 259.71 °C · 259.71°C (rough estimate)
Density: 1.4 · 1.4000
vapor pressure: 1.5 · 1.5-101300Pa at 25-250℃
refractive index: 1.4 · 1.4000 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Crystals
color: Orange to brown
Water Solubility: insoluble
BRN: 2208877 · 2208877
Henry's Law Constant: 8.4 · 8.4×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey: RNABGKOKSBUFHW-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(Cl)cc(Cl)c1
LogP: 3.09 at · 3.09 at 25℃
CAS DataBase Reference: 618 · 618-62-2(CAS DataBase Reference)
FDA UNII: 4 VSD7Q7FUH · 4VSD7Q7FUH
NIST Chemistry Reference: 3 · 3,5-Dichloronitrobenzene(618-62-2)
EPA Substance Registry System: 1 · Benzene, 1,3-dichloro-5-nitro- (618-62-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H319-H410
Precautionary statements: 264 · P264-P270-P273-P280-P301+P312-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36/37-36/37/39-36
RIDADR: 3077 · UN3077
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29049095 · 29049095
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
REACH Registrations: Inactive
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: UN3077
hs_code: 29049095
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37-36/37/39-36
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H302-H319-H410
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
Precautionary statements: P264-P270-P273-P280-P301+P312-P305+P351+P338

Chemistry & industry

Applications

Uses1,3-Dichloro-5-nitrobenzene was used as an internal standard in the 1H nuclear magnetic resonance spectroscopic method for the assay of phenylbutazone and oxyphenbutazone.

General Description1,3-Dichloro-5-nitrobenzene was tested for fungitoxicity against Aspergillus niger, A. oryzae, Trichoderma viride, Myrothecium verrucaria and Trichophyton mentagrophytes.

Upstream & downstream products

Downstream products

2,4-Difluoro-3,5-dichloronitrobenzene 2,4-Difluoro-3,5-dichloroaniline Teflubenzuron 3,5-Dichloroaniline 2,2',4,4',6,6'-Hexachlorobiphenyl 2,4-Dichloronitrobenzene 2,6-dichloro-4-nitrobenzonitrile

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

23 records

New reaction record

HRID 38550As reactantuspto-grants-2013_09

HRID 87945As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 159482As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 266681As reactantuspto-grants-1997_07

HRID 426923As productuspto-grants-1979_10

HRID 674849As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 835309As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 972665As productuspto-grants-1977_10

Linked notes

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Basic information