CAS 1737-93-5 3,5-Dichloro-2,4,6-trifluoropyridine (HCID 61273)

개요

3,5-dichloro-2,4,6-trifluoropyridine appears as a colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

이름 및 식별자

우선 이름: 3,5-Dichloro-2,4,6-trifluoropyridine
IUPAC: 3,5-dichloro-2,4,6-trifluoropyridine
영어명: 3,5-Dichloro-2,4,6-trifluoropyridine
분자식: C5Cl2F3N
분자량: 201.96

이름 및 동의어

3,5-DICHLORO-2,4,6-TRIFLUOROPYRIDINE1737-93-5Pyridine, 3,5-dichloro-2,4,6-trifluoro-3,5-Dichlorotrifluoropyridine3,5-Dichloro-2,4-6-trifluoropyridineDTXSID2042357939242TZ0LDCTFPYRefChem:91456DTXCID0022357217-088-32,4,6-trifluoro-3,5-dichloropyridine

이름 더 보기

LABOTEST-BB LT00848192,5-Dichlorotrifluoropyridine3,5-Dichloro2,4,6-trifloro pyridine3,5-Dichlloro-2,4,6-trifluoropyridine3,5-Dichloro-2,4,6-trifluoropyridine>

MFCD000062263,5-dichloro-2,4,6-trifluoro-pyridine2,6-Dichloro-1,3,5-trifluorobenzene2,4,6-trifluoro-3,5-dichloro pyridineUNII-939242TZ0LEINECS 217-088-3NA9264SCHEMBL282140

데이터베이스 식별자

CAS: 1737-93-5
PubChem CID: 61273
DTXSID: DTXSID2042357
UNII: 939242TZ0L
EC Number: 217-088-3
Nikkaji: J127.321C

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Other Toxic Gases & Vapors

Physical Description · 3건

3,5-dichloro-2,4,6-trifluoropyridine appears as a colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Liquid

Colorless liquid; [CAMEO]

물리화학적 성질

녹는점: 23 · 23-24 °C
끓는 점: 159 · 159-160 °C(lit.)
밀도: 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.478(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -4.3 · -4.30±0.10(Predicted)
Specific Gravity: 1.622 · 1.622
BRN: 475874 · 475874
Henry's Law Constant: 1.6 · 1.6×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChIKey: PKSORSNCSXBXOT-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=C(Cl)C(F)=C1Cl
NIST: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro-(1737-93-5)
EPA: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro- (1737-93-5)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (17.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 118 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)

Regulatory Information · 2건

Pyridine, 3,5-dichloro-2,4,6-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dichloro-2,4,6-trifluoro- 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.

DOT LabelPoison Inhalation Hazard

Fire Hazards · 2건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Health Hazards · 2건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

Hazards SummaryAn irritant to the skin, eyes, and upper respiratory tract; Very toxic if ingested, inhaled, or absorbed through the skin; May produce corrosive gases if heated; Containers may explode if heated; [CAMEO]

안전 및 보호

Fire FightingExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

General First Aid:

Exposure Control and Personal Protection · 2건

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Isolation and Evacuation · 4건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Immediate precautionary measure

Small spill:

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3382 6.1/PG 1
risk_code: 36/37/38-26
hazard_code: Xi,T,T+
safety_code: 26-37/39-36-45-36/37-28
포장분류: II
위험 등급: 6.1
위험 참고 사항: Toxic

화학 및 산업

용도 및 제조

UsesUsed as a chemical intermediate; [CAMEO]

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyridine, 3,5-dichloro-2,4,6-trifluoro-: ACTIVE

응용 분야 · 2건

용도3,5-Dichloro-2,4,6-trifluoropyridine serves as a base for agrochemicals[3]. The compound acts as a precursor in Suzuki–Miyaura reactions with arylboronic acids to prepare 3,5-diaryl-2,4,6-trifluoropyridines and 5-aryl-3-chloro-2,4,6-trifluoropyridines, and reacts with sodium methoxide to yield 3,5-dichloro-2-methoxy-4,6-difluoropyridine[1][2]. A 2% formulation of the substance is applied to skin samples[3].

일반 설명A colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.