CAS 610-78-6 4-Chloro-3-nitrophenol (HCID 69127)

Names & identifiers

Preferred name: 4-Chloro-3-nitrophenol
IUPAC: 4-chloro-3-nitrophenol
English name: 4-Chloro-3-nitrophenol
Molecular formula: C6H4ClNO3
Molecular weight: 173.55

Names & synonyms

4-Chloro-3-nitrophenol610-78-6Phenol, 4-chloro-3-nitro-DTXSID90209863NSC 211001RefChem:98450DTXCID40132354612-076-8InChI=1/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9JUIKCULGDIZNDI-UHFFFAOYSA-NMFCD000435464-chloro-3-nitro-phenol

Show more names

TIMTEC-BB SBB0079304-Chloro-3-nitrophenol, A4-Chloro-3-Nitrophenol98%4-Chloro-3-nitrophenol >4-CHLORO-3-NITROPHENOL 98%2-Nitro-4-Hydroxyphenyl Chloride4-CHLORO-3-NITROPHENOL FOR SYNTHESIS

3-nitro-4-chlorophenol2-Chloro-5-hydroxynitrobenzene; 3-Nitro-4-chlorophenol; NSC 211001;NSC2110014chloro-3-nitrophenol4-Chlor-3-nitro-phenol3-nitro-4-chloro phenolSCHEMBL545300SCHEMBL6255476

Database identifiers

CAS: 610-78-6
PubChem CID: 69127
DTXSID: DTXSID90209863
EC Number: 612-076-8
Nikkaji: J95.665A

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 125 · 125-128 °C (lit.)
Boiling point: 308.8 · 308.8±27.0 °C(Predicted)
Density: 1.554 · 1.554±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 7.7 · 7.70±0.10(Predicted)
color: brown
BRN: 2094546 · 2094546
InChI: 1S/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey: JUIKCULGDIZNDI-UHFFFAOYSA-N
SMILES: Oc1ccc(Cl)c(c1)[N+]([O-])=O
CAS DataBase Reference: 610 · 610-78-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-36/37/381
Safety Statements: 26 · 26-36-36/37/39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29089000 · 29089000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information4-Chloro-3-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 2811
hs_code: 29089000
risk_code: 20/21/22-36/37/38-36/37/381
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36-36/37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses4-Chloro-3-nitrophenol may be used as sole carbon and energy supplement for Pseudomonas sp. JHN.

General Description4-Chloro-3-nitrophenol is a chloronitrophenol, widely used as an important building block for the synthesis of dyes, drugs, explosives and pesticides. Degradation of 4-chloro-3-nitrophenol by Pseudomonas sp. JHN is reported.

Upstream & downstream products

Upstream raw materials

2-{4-chloro-3-nitrophenoxy}-4,6-dimethoxy-1,3,5-triazine Pyridine, 2-(4-chlorophenoxy)-4-Chloro-3-nitroanisole 4,6-dimethoxy-1H-1,3,5-triazin-2-one 4-Amino-3-nitrophenol Phenol 4-Chlorophenol 2-Chlorophenol 3-Chlorophenol 4-Cyanophenol

Downstream products

2-chloro-3-nitro-phenol

Suppliers100 total

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

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

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

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

132 records

New reaction record

HRID 8048As reactantuspto-grants-2006_08

HRID 104557As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104642As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117755As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 133748As reactantuspto-grants-2008_06

HRID 141460As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 144294As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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Basic information