기본 정보
- CAS
943832-81-3- 표준 SMILES
COc1c(Cl)ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c1F- InChIKey
XFZUQTKDBCOXPP-UHFFFAOYSA-N- 분자식
- C13H8Cl2F2N2O3
- 평균 분자량
- 349.11 g/mol
- 단동위원소 질량
- 347.98800392
개요
Florpyrauxifen is a pyridinemonocarboxylic acid that is picolinic acid which is substituted at positions 3, 4, 5, and 6 by chlorine, amino, fluorine, and 4-chloro-2-fluoro-3-methoxyphenyl groups, respectively. An auxin herbicide developed by Dow AgroSciences and sold as the corresponding benzyl ester, florpyrauxifen-benzyl. It has a role as a herbicide and a synthetic auxin. It is a pyridinemonocarboxylic acid, an aromatic ether, an aminopyridine, a biaryl, a member of monochlorobenzenes and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- Florpyrauxifen
- IUPAC
- 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylic acid
- 영어명
- florpyrauxifen
- 분자식
- C13H8Cl2F2N2O3
- 분자량
- 349.12
이름 및 동의어
FlorpyrauxifenFlorpyrauxifen [ISO]7SE2CM4FZV4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylic acidflorpyrauxifene4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinic acid4-Amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-CHEBI:133650DTXSID50873862XDE-848XR-848
이름 더 보기
Degarelix Impurity 8Florpyrauxifen (>85%)Florpyrauxifen in MethanolArylex Impurity 3 (Florpyrauxifen)Florpyrauxifen2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2fluoro-3-methoxyphenyl)-5-fluoro-
RefChem:140764DTXCID301012065878-990-6943832-81-3UNII-7SE2CM4FZVSCHEMBL2471056SCHEMBL29370743SCHEMBL29390242
데이터베이스 식별자
- CAS
943832-81-3- PubChem CID
- 67420724
- DTXSID
DTXSID50873862- ChEBI
CHEBI:133650- UNII
- 7SE2CM4FZV
- EC Number
- 878-990-6
- Nikkaji
- J3.617.442K
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 85.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 421
물리화학적 성질
- 끓는 점
- 488.5 · 488.5±45.0 °C(Predicted)
- 밀도
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.14 · 3.14±0.34(Predicted)
- Henry's Law Constant
- 3.2 · 3.2×107 mol/(m3Pa) at 25℃, Ebert et al. (2023)
안전 및 규제
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationRegulation (EC) No 1107/2009 (amended)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H317
화학 및 산업
응용 분야
용도Florpyrauxifen is a part of the preparation for post-emergence florpyrauxife-benzyl herbicides.
공급사21 곳
陕西科贝莱药物研发有限公司13119135307 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
成都蓝蜻蜓生物技术有限公司028-87856149; 15208320722 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
北京汇泽中森医药科技有限公司18519331287 18519331287 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
陕西萃程生物医药科技有限公司13186333400 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
天津佳一生物科技有限公司13261917876 13261917876 · [email protected]
拓昂（山东）化学品有限公司15244440883 15244440883
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
南京英特美科技有限公司18501091076 · [email protected]
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