StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
Huagongshe Open Project:[email protected]KI-Anbindung: llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.7.8
  1. Startseite
  2. /Verbindung

Butylchloracetat

Butyl chloroacetate

HCID 11530
NotizenReaktionen
GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
590-02-3
Standard-SMILES
CCCCOC(=O)CCl
InChIKey
YJRGMUWRPCPLNH-UHFFFAOYSA-N
Summenformel
C6H11ClO2
Durchschnittliche Molmasse
150,6 g/mol
Monoisotopische Masse
150,0447573

Namen und Bezeichner

Bevorzugter Name
Butyl chloroacetate
IUPAC
butyl 2-chloroacetate
Lokaler Name
Butylchloracetat
Englischer Name
Butyl 2-chloroacetate
Summenformel
C6H11ClO2
Molmasse
150.6

Namen und Synonyme

butyl 2-chloroacetateButyl chloroacetate590-02-3N-BUTYL CHLOROACETATEAcetic acid, chloro-, butyl esterChloroacetic acid butyl esterChloroacetic acid n-butyl ester14HD7CFO3ONSC-1212MFCD00018925Acetic acid, 2-chloro-, butyl estern-Butyl-chloroacetate
Weitere Namen anzeigen
ButylChloroacetate>chloro-aceticacibutylesterBUTYL2-(METHYLTHIO)NICOTINATE2-chloroacetic acid butyl ester
Caswell No. 125JUNII-14HD7CFO3OHSDB 5703NSC 1212EINECS 209-670-0butyl monochloroacetaten-butyl 2-chloroacetateAI3-18528

Datenbank-Bezeichner

CAS
590-02-3
PubChem CID
11530
DTXSID
DTXSID5060437
UNII
14HD7CFO3O
EC Number
209-670-0
Nikkaji
J43.281D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
9
Formalladung
0
Komplexität
83

Experimentelle und physikochemische Eigenschaften

Density1.0704 @ 20 °C/4 °C
SolubilityINSOLUBLE IN WATER; SOLUBLE IN ALCOHOL, ETHER
Boiling Point183 °C
Refractive IndexIndex of refraction: 1.4297 @ 20 °C
Physical DescriptionColorless liquid; [MSDSonline]
Kovats Retention Index · 3 Einträge

1007;986;986;996;1000;1014;994;1001.4

1032

1466;1472;1500;1508;1510;1534

Other Experimental PropertiesWEIGHT/VOLUME CONVERSION: 6.15 MG/CU M APPROX 1 PPM

Physikochemische Eigenschaften

Siedepunkt
72 °C · 72 °C
Dichte
1 · 1,07 g/cm3
Brechungsindex

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (95.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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.

Gefahrenhinweise

Hazards SummaryA 6-hour exposure to 2.8 gm/m3 was practically nontoxic for 6 rats; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (95.1%);Acute Tox. 3 (95.1%);Skin Irrit. 2 (100%);Eye Dam. 1 (95.1%)

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 2-chloro-, butyl ester: ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Butyl philIalyl blutyl gIycolateButoxycarbonylmethylbutylphthalatButyl-2,4-dichlorphenoxyacetatButylcyanacetatButyl 4-tert-butoxycarbonylamino-1-piperidineacetate

Anbieter62 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Zugehörige Reaktionen

6
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 847362
HRID 847362als Eduktuspto-grants-1992_08
Reaktionsgleichung von HRID 989130
HRID 989130als Eduktuspto-grants-2003_10
Reaktionsgleichung von HRID 1089753
HRID 1089753als Eduktuspto-grants-1992_01
Reaktionsgleichung von HRID 1589826
HRID 1589826als Eduktuspto-grants-1993_04
Reaktionsgleichung von HRID 1863139
HRID 1863139als Produktuspto-grants-1979_09
Reaktionsgleichung von HRID 2326237
HRID 2326237als EduktTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
1.428 · 1.4280-1.4300
Aggregatzustand
clear liquid
Farbe
Colorless to Almost colorless
CAS Datenbank
590 · 590-02-3(CAS DataBase Reference)
NIST chemische Informationen
Chloroacetic acid butyl ester(590-02-3)
EPA chemische Informationen
Acetic acid, chloro-, butyl ester (590-02-3)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.
TSCA Test Submissions · 5 Einträge

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute oral toxicity in male and female Sprague-Dawley albino rats. The test substance was fed by oral gavage at dose levels of 251, 316, 398, and 501 mg/kg. The mortality ratios were 0/2 M, 0/3 F; 1/3 M, 1/2 F; 1/2 M, 2/3 F; and 3/3 M, 2/2 F, respectively. Toxic signs included reduced appetite and activity, rapidly increasing weakness, collapse, and death. Autopsy findings included hemorrhagic lungs and liver and acute gastrointestinal inflammation. The LD50 was determined to be 360 mg/kg.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute dermal toxicity in New Zealand white male and female rabbits at dose levels of 100, 200, 316, 501, and 1000 mg/kg. The mortality ratios were 0/1 F; 1/1 M, 1/1 F; 1/1 M, 1/1 F; 1/1 M; and 1/1 F, respectively. Toxic signs included reduced appetite and activity, rapidly increasing weakness, ocular discharge, collapse, and death. Autopsy findings included lung and liver hyperemia. The LD50 was determined to be greater than 200 mg/kg and less than 316 mg/kg.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for dermal irritation in three New Zealand white male and female rabbits at a dose level of 0.5 m/L applied undiluted to the intact skin. The test substance was a severe irritant with an average maximum score of 6.0 out of 8 in 24-hours. Observations following application included slight erythema and severe edema (24-hours) and no erythema or edema at 168-hours.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for eye irritation in three New Zealand white male and female rabbits at a dose level of 0.1 m/L. The test substance was classified as a mild eye irritation with an average maximum score of 16.6 out of 110 in 24-hours. Observations following application included moderate to severe erythema, including a diffuse, deep-crimson red appearance of the conjunctivae, with individual vessels not easily discernable; moderate edema; and moderate to copious discharge containing slight whitish exudate (24-hours). At 168-hours the eyes were normal with zero readings.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute inhalation toxicity in six male rats exposed for 6-hours at an average concentration of 2.8 g/m3. Observations during exposure included slight discomfort, but within 15-minutes the animals had normal reactions including no nasal or ocular discharge, no weakness or drowsiness, and normal respiration. Observations following exposure included normal respiration and no sign of toxic distress. All animals survived the 6-hour exposure. It was concluded that the vapors were practically non-toxic under conditions of the test.

Sicherheitsdaten

tsca
TSCA listed
ridadr
3272
hs_code
2915400000
risk_code
10-36/37/38-34
hazard_code
C
hazard_note
Corrosive
safety_code
16-26-36-45-36/37/39-23
Giftige Stoffe Daten
590-02-3(Hazardous Substances Data)
Dayang Chem (Hangzhou) Co.,Ltd.
+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
上海凯赛化工有限公司021-33516722 13701817869 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
盼得(上海)国际贸易有限公司80159919 18662931292 · [email protected]
巴师傅(上海)生物医药科技有限公司60662071 18117346937 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
上海天时化工有限公司021-57951555 · [email protected]
上海天时化工有限公司+86-021-57951555 +8618017249410 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
艾览(上海)化工科技有限公司400-668-9898 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
武汉裕清嘉衡药业有限公司027-83855389 13545340383 · [email protected]