기본 정보
- CAS
500011-86-9- 표준 SMILES
O=C(O)c1cc(Br)nn1-c1ncccc1Cl- InChIKey
FORBXGROTPOMEH-UHFFFAOYSA-N- 분자식
- C9H5BrClN3O2
- 평균 분자량
- 302.51 g/mol
- 단동위원소 질량
- 300.92536618
이름 및 식별자
- 우선 이름
- 3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
- 영어명
- 3-BroMo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
- 분자식
- C9H5BrClN3O2
- 분자량
- 302.51
이름 및 동의어
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid3-BROMO-1-(3-CHLORO-2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLIC ACIDDTXSID30469045RefChem:498163DTXCID90419864481-150-8500011-86-9C9H5BrClN3O25-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylic AcidMFCD086898801H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylicacid
이름 더 보기
3-Bromo-1-(3-chloropyridin-2-yl)5-Bromo-2-(3-chloro-pyridin-2-yl)-2H-pyrazole-3-carboxylic acidcas 500011-86-9cas 500011-86-9 95%coragen intermediateChlorantraniliprole Impurity 7Chlorantranliprole intermediateintermediate of Chlorantranliprole
5-bromo-2-(3-chloro-2-pyridyl)pyrazole-3-carboxylic acid3-bromo-1-(3- chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acidEC 481-150-8SCHEMBL5354755-bromo-2-(3-chloropyridin-SCHEMBL293610083-Bromo-1-(3-chloro-2-pyridyl)pyrazole-5-carboxylic Acid3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic ac ID
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 68 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 281
실험 및 물리화학적 성질
Physical DescriptionCBI; Dry Powder
물리화학적 성질
- 녹는점
- 197 · 197-200 °C
- 끓는 점
- 477.4 · 477.4±45.0 °C(Predicted)
- 밀도
- 1.92 · 1.92±0.1 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.39 · 2.39±0.36(Predicted)
- 색상
- 흰색에서 밝은 갈색까지
- 수용성
- 8.84 g/L · 8.84g/L at 20.3℃
- InChI
- InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
- InChIKey
- FORBXGROTPOMEH-UHFFFAOYSA-N
- SMILES
- N1(C2=NC=CC=C2Cl)C(C(O)=O)=CC(Br)=N1
- LogP
- 1.5 at · 1.5 at 25℃
안전 및 규제
GHS 분류
GHS Classification
H412 (95.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)- 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.
Status: Active Update: 13-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31489
Hazard Classes and CategoriesAquatic Chronic 3 (95.7%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2933199090
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-: ACTIVE
상·하류 제품 정보
상류 원료
공급사100 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
관련 반응
123건
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