6-클로로니코틴산

6-Chloronicotinic acid

HCID 79222CAS 5326-23-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1ccc(Cl)nc1
InChIKey
UAWMVMPAYRWUFX-UHFFFAOYSA-N
분자식
C6H4ClNO2
평균 분자량
157.55 g/mol
단동위원소 질량
156.9930561

이름 및 식별자

우선 이름
6-Chloronicotinic acid
IUPAC
6-chloropyridine-3-carboxylic acid
현지명
6-클로로니코틴산
영어명
6-Chloronicotinic acid
분자식
C6H4ClNO2
분자량
157.55

이름 및 동의어

6-Chloronicotinic acid5326-23-86-Chloropyridine-3-carboxylic acid6-Chloro-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 6-chloro-DTXSID6063775NSC-27799V0U0120ARefChem:104444DTXCID2041381226-201-56-Chloro-nicotinic acid
이름 더 보기
6-클로로니코틴산6-Chloronicotinic acid (6-CNA)2－chloro－5－pyrdinecarboxylic acid2-chloropyridine-5-carboxylic acid6-ChL6-ChloronicotiTIMTEC-BB SBB004004RARECHEM AL BO 07296 - chlorine niacin6-Chloronicotinic ac
MFCD000062416-Chloronicotinicacid6-chloro nicotinic acidacetamiprid TP3UNII-99V0U0120Aimidacloprid TP2NSC 277EINECS 226-201-5

데이터베이스 식별자

CAS
5326-23-8
PubChem CID
79222
DTXSID
DTXSID6063775
ChEMBL
CHEMBL1723657
ChEBI
CHEBI:180996
UNII
99V0U0120A
EC Number
226-201-5
Nikkaji
J212G

물성

구조 계산 물성

XLogP
2.7
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
190 °C · 190 °C (dec.)(lit.)
끓는 점
241.15 °C · 241.15°C (rough estimate)
밀도
0.5 · 0.5
굴절률
1.587 · 1.5870 (estimate)
인화점
192 °C · 192°C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

Off-white to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 8 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

Regulatory InformationCommission Regulation No 844/2012
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.7%)

규제 정보

Regulatory InformationCommission Regulation No 844/2012

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29333999
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-24/25-37/39

화학 및 산업

용도 및 제조

Use Classification · 2건

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Transformation products

General Manufacturing Information3-Pyridinecarboxylic acid, 6-chloro-: ACTIVE
응용 분야 · 2건

용도6-Chloronicotinic acid is used as building block for different chemical synthesis. It is an intermediate for the synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAFV600E inhibitors, and novel DNA-gyrase B inhibitors.

일반 설명6-Chloropyridine-3-carboxylic acid is a metabolite of the neonicotinoid pesticides, imidacloprid and acetamiprid and occurs in different environmental matrices.(3) It is widely used in agricultural crop protection, domestic insect control and environmental pest management.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: 6-Chloronicotinic acid is a member of pyridines and an aromatic carboxylic acid.

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