홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

Desmedipham

HCID 24743
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
13684-56-5
표준 SMILES
CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
InChIKey
WZJZMXBKUWKXTQ-UHFFFAOYSA-N
분자식
C16H16N2O4
평균 분자량
300.31 g/mol
단동위원소 질량
300.111007

개요

Desmedipham is a carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is functionally related to a phenylcarbamic acid.

이름 및 식별자

우선 이름
Desmedipham
IUPAC
[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
영어명
[3-[[(Phenylamino)carbonyl]oxy]phenyl]carbamic acid ethyl ester
분자식
C16H16N2O4
분자량
300.31

이름 및 동의어

DESMEDIPHAM13684-56-5BetanexBentanexBetanal AMSynbetan DSchering 38107DesmediphameBetanal AM 11Caswell No. 447AAAEthyl phenylcarbamoyloxyphenylcarbamate3-Ethoxycarbonylaminophenyl-N-phenylcarbamate
이름 더 보기
KEMIFAMsynbetandTiancaianBETANEX(R)
DTXSID0034518sn-38107EP-475Ethyl 3'-phenylcarbamoyloxycarbanilateSN 38107Ethyl m-hydroxycarbanilate carbanilateSN 475Carbanilic acid, m-carbaniloyloxy-, ethyl ester

데이터베이스 식별자

CAS
13684-56-5
PubChem CID
24743
DTXSID
DTXSID0034518
ChEMBL
CHEMBL16024
ChEBI
CHEBI:81733
UNII
C7V2TTX346
EC Number
237-198-5
Nikkaji
J8.443C

물성

구조 계산 물성

XLogP
3.4
극성 표면적
76.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
22
형식 전하
0
복잡도
369

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature
Pesticides · 6건

Herbicides

Active substance -> EU Pesticides database: Not approved

Pesticides -> Herbicides, Carbamate

Herbicides

Environmental transformation -> Pesticides (parent, predecessor)

Pesticide (Desmedipham) -> USDA PDB

LogP3.39
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionColorless to off-white solid; [Reference #1]

물리화학적 성질

녹는점
120 °C · 120 °C
끓는 점
441.54 °C · 441.54°C (rough estimate)
밀도
1.1782 · 1.1782 (rough estimate)
굴절률
1.624 · 1.6240 (estimate)
저장 조건
0 · 0-6°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
Solid
산도 계수 (pKa)
12.96 · 12.96±0.70(Predicted)
색상
흰색에서 황백색까지
수용성
7 mg/L · 7mg/L(상온)
BRN
2395716 · 2395716
Henry's Law Constant
2.3 · 2.3×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용
농업환경
InChI
1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey
WZJZMXBKUWKXTQ-UHFFFAOYSA-N
SMILES
CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
LogP
3.39 · 3.390
NIST
Desmedipham(13684-56-5)
EPA
Desmedipham (13684-56-5)

화학적 성질

Colorless, crystalline solid.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H361d (66.8%): Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 5건

Commission Regulation No 844/2012

Desmedipham is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

04/58/EC, Reg. (EU) 2017/841, Reg. (EU) 2018/917, Reg. (EU) 2019/1100, Reg. (EU) 2019/707, Reg. (EU) No 540/2011

REACH registered substance: Desmedipham (EC: 237-198-5)

Desmedipham: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelClass 9
Fire HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Health HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Hazards SummaryA skin sensitizer in guinea pigs; Causes methemoglobinemia and elevated liver enzymes in high-dose animal experiments; [Reference #1] May cause irritation; [Aldrich MSDS]
Reactive GroupCarbamates
Reactivity Profile · 1건

DESMEDIPHAM is a carbamate ester. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates.

DOT Hazard Classification · 2건

Desmedipham

Marine pollutant

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories · 5건

Repr. 2 (66.8%)

Reproductive toxicity - category 2

Specific target organ toxicity - Repeated exposure - Category 2 (blood system)

Reproductive toxicity - Category 2

Repr. 2

안전 및 보호

Fire FightingExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
First AidExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Nonfire Spill ResponseExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

독성 정보

Treatment · 1건

If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.

Health Effects · 1건

Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing. (A15321)

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesInhalation (L793) ; oral (L793); dermal (L793)
Toxicity Summary · 1건

Desmedipham is a cholinesterase or acetylcholinesterase (AChE) inhibitor. Carbamates form unstable complexes with chlolinesterases by carbamoylation of the active sites of the enzymes. This inhibition is reversible. A cholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop.

Signs and Symptoms · 1건

As with organophosphates, the signs and symptoms are based on excessive cholinergic stimulation. Unlike organophosphate poisoning, carbamate poisonings tend to be of shorter duration because the inhibition of nervous tissue acetylcholinesterase is reversible, and carbamates are more rapidly metabolized. Muscle weakness, dizziness, sweating and slight body discomfort are commonly reported early symptoms. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported. (L795)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity Data · 2건

LC50 (rat) > 7,400 mg/m3

LD50: 9600 mg/kg (Rat, oral); LD50: >2000 mg/kg (Rabbits, transdermally)

RAIS Toxicity Values · 4건

0.1

OPP

0.04

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Desmedipham

0.1

700

Children

0.04

200

안전 데이터

wgk
2
rtecs
FD0425000
ridadr
UN 3077
독성
LC50 (96-hour) for rainbow trout 3.8 mg/L and bluegill sunfish 13.4 mg/L (Hartley and Kidd, 1987); acute oral LD50 of pure desmedipham and the formulated product for rats 10,300 and 3,700 mg/kg, respectively (Ashton and Monaco, 1991).
HS 번호
29242990
risk_code
50/53
hazard_code
N
safety_code
60-61
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Repr. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesThe carbamates are hydrolyzed enzymatically by the liver; degradation products are excreted by the kidneys and the liver. (L793)

용도 및 제조

Uses · 3건

Used as selective post-emergence herbicide for sugar beets; Also registered for Special Local Needs in Washington state for table beets and Swiss chard seed production; [Reference #1]

Farming (Pesticides) [Category: Industry]

Desmedipham is a selective, systemic post-emergence herbicide commonly used in beet and strawberry crops to protect against weeds, often in comination with Phenmedipham.

Use Classification · 2건

Herbicides

Environmental transformation -> Pesticides (parent, predecessor)

응용 분야

용도[3-[[(Phenylamino)carbonyl]oxy]phenyl]carbamic acid ethyl ester is a carbanilate based herbicide used in the weed control programs in sugar beet.

공급사100 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Qingdao Trust Agri Chemical Co.,Ltd+86-008615963231493 +86-008613573296305 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
湖北宝凌化工科技有限公司13129969326 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
合肥合生生物科技有限公司0551-63802898 15395108618 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
南京罗迈美生物科技有限公司[email protected]
深圳市森迪生物科技有限公司18124570582 TEL:0755-23574479 2355327139 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]
BOC Sciences[email protected]
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]

추가 설명

정의ChEBI: A carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide.

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트