2-Chloro-6-(trifluoromethyl)nicotinic acid

HCID 2778210
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기본 정보

CAS
280566-45-2
표준 SMILES
O=C(O)c1ccc(C(F)(F)F)nc1Cl
InChIKey
DXRBTBMFFGEVCX-UHFFFAOYSA-N
분자식
C7H3ClF3NO2
평균 분자량
225.55 g/mol
단동위원소 질량
224.9804405

이름 및 식별자

우선 이름
2-Chloro-6-(trifluoromethyl)nicotinic acid
IUPAC
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid
영어명
2-Chloro-6-trifluoromethylnicotinic acid
분자식
C7H3ClF3NO2
분자량
225.55

이름 및 동의어

280566-45-22-Chloro-6-(trifluoromethyl)nicotinic acidDTXSID40380813RefChem:259062DTXCID70331838631-076-92-Chloro-6-trifluoromethylnicotinic acid2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic AcidMFCD018626582-chloro-6-trifluoromethylpyridine-3-carboxylic acid2-Chloro-6-(trifluoromethyl)nicotinic acid;2-chloro-6-(trifluoromethyl)nicotinic acid;2-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
이름 더 보기
RARECHEM AL BO 21842-chloro-6-trifluoromethyl niacin2-chloro-6-trifluoromethylnicotinic2-Chloro-6-(trifluoromethyl)nicotinic Acid >2-Chloro-6-(trifluoromethyl)nicotinic acid ,97%2-CHLORO-6-TRIFLUOROMETHYL NICOTINIC ACID,97+%(GC)2-chloro-6-(trifluoromethyl)pyridine-3-carboxylicaci2-CHLORO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID2-CHLORO-6-TRIFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID
2-Chloro-6-(trifluoromethyl)nicotinicacid2-chloro-6-trifluoromethyl-nicotinic acidSCHEMBL165279SCHEMBL30586206CS-D0797SBB053025AKOS005063886PS-6458

데이터베이스 식별자

CAS
280566-45-2
PubChem CID
2778210
DTXSID
DTXSID40380813
EC Number
631-076-9
Nikkaji
J2.126.887I

물성

구조 계산 물성

XLogP
2.3
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
14

물리화학적 성질

녹는점
120 °C · 120 °C
끓는 점
271.3 · 271.3±40.0 °C(Predicted)
밀도
1.603 · 1.603±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태
powder to crystal
산도 계수 (pKa)
1.42 · 1.42±0.28(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (80%): 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 (98%): 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 50 reports by companies from 9 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 (80%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk
3
ridadr
UN 2811 6.1 / PGIII
HS 번호
2933399990
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36/37/39

화학 및 산업

응용 분야

용도2-Chloro-6-trifluoromethylnicotinic acid is used as an intermediate in organic synthesis.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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