2-Chloro-5-trichloromethylpyridine

HCID 50293
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
69045-78-9
Standard SMILES
Clc1ccc(C(Cl)(Cl)Cl)cn1
InChIKey
VLJIVLGVKMTBOD-UHFFFAOYSA-N
Molecular formula
C6H3Cl4N
Average molar mass
230.9 g/mol
Monoisotopic mass
228.90196

Names & identifiers

Preferred name
2-Chloro-5-trichloromethylpyridine
IUPAC
2-chloro-5-(trichloromethyl)pyridine
English name
2-Chloro-5-trichloromethylpyridine
Molecular formula
C6H3Cl4N
Molecular weight
230.91

Names & synonyms

2-chloro-5-(trichloromethyl)pyridine69045-78-92-CHLORO-5-TRICHLOROMETHYLPYRIDINEDTXSID4028967Pyridine, 2-chloro-5-(trichloromethyl)-UNII-7YHC64YM0S7YHC64YM0SDTXCID208967CHLORO-5-TRICHLOROMETHYLPYRIDINE, 2-RefChem:863162-chloro-5-trichloromethyl-pyridine614-911-1
Show more names
oro-5-trichLAKOS BBS-00000412IFLAB-BB F0797-00012-Chloro-5-trichloromethylpyridine###NA2-Chloro-5-trichloromethylpyridine ISO 9001：2015 REACH
MFCD001601452-Chloro-5-trichloromethyl pyridine2-chloro-5-(Trichloromethyl)-pyridineSCHEMBL4985623CHEMBL3188409SCHEMBL315007762-chloro-5-trichloromehtylpyridine6-chloro-3-trichloromethyl pyridine

Database identifiers

CAS
69045-78-9
PubChem CID
50293
DTXSID
DTXSID4028967
ChEMBL
CHEMBL3188409
UNII
7YHC64YM0S
EC Number
614-911-1
Nikkaji
J1.581.751H

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point
-18.14 °C · -18.14 °C
Boiling point
281.8 · 281.8±35.0 °C(Predicted)
Density
1.582 · 1.582±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid
pka
-2.26 · -2.26±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 3 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.

Hazard information

Regulatory Information · 2 items

Pyridine, 2-chloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-chloro-5-(trichloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

Regulatory information

Regulatory Information · 2 items

Pyridine, 2-chloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-chloro-5-(trichloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
ridadr
UN2811
hs_code
2933399990
risk_code
36/37/38-25
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 550,000 - <1,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyridine, 2-chloro-5-(trichloromethyl)-: ACTIVE

Upstream & downstream products

Suppliers100 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
保定秉承新材料有限公司17531190177 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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