기본 정보
- CAS
100784-27-8- 표준 SMILES
COC(=O)c1c(Cl)nn(C)c1S(N)(=O)=O- InChIKey
PVZNZXMAJKZBCU-UHFFFAOYSA-N- 분자식
- C6H8ClN3O4S
- 평균 분자량
- 253.66 g/mol
- 단동위원소 질량
- 252.9924046
이름 및 식별자
- 우선 이름
- Methyl 5-(aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylate
- IUPAC
- methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate
- 영어명
- 5-(aminosulfonyl)-3-chloro-1-methyl-1H- pyrazol
- 분자식
- C6H8ClN3O4S
- 분자량
- 253.66
이름 및 동의어
100784-27-8Methyl 5-(aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylateRefChem:355930Methyl 3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylateMFCD13152198methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 5-(aminosulfonyl)-3-chloro-1-methyl-, methyl ester3-Chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid methyl ester3-Chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid-methyl esterPVZNZXMAJKZBCU-UHFFFAOYSA-N5-(AMINOSULFONYL)-3-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTERMethyl 3-chloro-1-methyl-5-sulfamoyl-pyrazole-4-carboxylate
이름 더 보기
Halosulfuron amide5-(aminosulfonyl)-3-chloro-1-methyl-1H- pyrazolMethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxylateMethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxyla...
SCHEMBL10745258DTXSID60442169Methyl 3-Chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic AcidAKOS015912060DS-3940DB-058488CS-0151229C71043
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 354
물리화학적 성질
- 녹는점
- 125 · 125-126 °C
- 끓는 점
- 473.4 · 473.4±55.0 °C(Predicted)
- 밀도
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 9.22 · 9.22±0.60(Predicted)
- InChI
- InChI=1S/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13)
- InChIKey
- PVZNZXMAJKZBCU-UHFFFAOYSA-N
- SMILES
- N1(C)C(S(N)(=O)=O)=C(C(OC)=O)C(Cl)=N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H227
화학 및 산업
응용 분야
용도Methyl 3-Chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic Acid is used as a reactant in the synthesis of Halosulfuron Methyl (H104053), a herbicide. Methyl 3-Chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic Acid is also a hydrolysis product of Halosulfuron Methyl.
공급사53 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江百可半导体材料有限公司021-65127018 18917093248 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
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