3-Chloro-5-(trifluoromethyl)pyridine (HCID 2736698)

이름 및 식별자

우선 이름: 3-Chloro-5-(trifluoromethyl)pyridine
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine
영어명: 3-Chloro-5-(trifluoromethyl)pyridine
분자식: C6H3ClF3N
분자량: 181.54

이름 및 동의어

3-chloro-5-(trifluoromethyl)pyridine85148-26-1DTXSID30371538RefChem:278382DTXCID00322572678-782-3MFCD00042227Pyridine, 3-chloro-5-(trifluoromethyl)-3-trifluoromethyl-5-chloropyridine3-Chloro-5-trifluoromethylpyridinePS-6449AC-23348

이름 더 보기

3-Chloro-5-(trifluoromethyl)pyridine97%3-Chloro-5-(trifluoromethyl)pyridine 97%3-Chloro-5-(trifluoromethyl)pyridine >3-Chloro-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH

EN300-114758AM20070105FT-0615431SCHEMBL394514SCHEMBL876019SCHEMBL939775orb3031415SCHEMBL1116564

데이터베이스 식별자

CAS: 85148-26-1
PubChem CID: 2736698
DTXSID: DTXSID30371538
EC Number: 678-782-3

물성

구조 계산 물성

XLogP: 2.4
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: 136

물리화학적 성질

녹는점: 131.5 °C · 131.5 °C
끓는 점: 144 °C · 144°C
밀도: 1.416 · 1.416±0.06 g/cm3(Predicted)
굴절률: 1.446 to · 1.4460 to 1.4500
인화점: 54 ℃ · 54℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 0.52 · 0.52±0.20(Predicted)
InChI: InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey: OMRCXTBFBBWTDL-UHFFFAOYSA-N
SMILES: C1=NC=C(C(F)(F)F)C=C1Cl

화학적 성질

light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 5 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933399990
risk_code: 20/21/22-36/37/38-25
hazard_code: Xi,Xn,T
safety_code: 26-36/37/39-36-45
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도3-Chloro-5-(trifluoromethyl)pyridine (3CTFP) is a pyridinium salt that is a byproduct of the production of chlorofluorocarbons. It is used to reduce the level of chlorine in water, and it can be used as a pesticide. 3CTFP is also an anion that can be reduced to form the chloride ion. 3CTFP reacts with nucleophiles such as ammonia or amines, which leads to nucleophilic substitution reactions. This reaction can be reversed by adding acid. The product from this reaction is ammonia gas.