Isopropylcarbamat

ISOPROPYL CARBAMATE · NSC 60539 · propan-2-yl carbamate · Isopropyl Carbamate >Carbamic acid isopropyl · Chlorpropham Impurity 4 · CARBAMIC ACID ISOPROPYL ESTER · carbamicacid,1-methylethylester · isopropylesterkyselinykarbaminove

https://huagongshe.com/de/chemical/15628

Identifikatoren & physikalische Daten

CAS No.	1746-77-6
Summenformel	C4H9NO2
Durchschnittliche Molmasse	103,12 g/mol
Monoisotopische Masse	103,06332853 g/mol
SMILES	CC(C)OC(N)=O
InChIKey	OVPLZYJGTGDFNB-UHFFFAOYSA-N
PubChem CID	15628
EC No.	217-127-4
DTXSID	DTXSID9051795
Lokaler Name	Isopropylcarbamat

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	52,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	0
Komplexität	70
Dichte	0.9951 AT 66 °C1.010
Color/Form	NEEDLES
Löslichkeit	Very soluble in water, alcohol, and ether.Completely soluble in water
Siedepunkt	183 °C
Decomposition	When heated to decomposition it emits toxic fumes of NOx.
Schmelzpunkt	93 °C94°C
Dampfdruck	0.16 [mmHg]
Physical Description	Solid[HSDB]
Brechungsindex	1.4203 (estimate)
Flammpunkt	90℃
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	13.68±0.50(Predicted)
Farbe	White to Almost white
Henry-Konstante	1.4×102 mol/(m3Pa) at 25℃, HSDB (2015)
CAS Datenbank	1746-77-6
EPA chemische Informationen	Carbamic acid, 1-methylethyl ester (1746-77-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.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.
Gefahrenübersicht	A mutagen and tumorigenCauses somnolence in subcutaneous, lethal-dose studies of mice[RTECS] May cause irritation[MSDSonline]
Hazard Classes and Categories	Acute Tox. 4 (100%)
Entsorgungsverfahren	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.
Umweltverhalten	TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 18(SRC), determined from a structure estimation method(2), indicates that isopropyl carbamate is expected to have very high mobility in soil(SRC). Volatilization of isopropyl carbamate from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 18(SRC), determined from a structure estimation method(2), indicates that isopropyl carbamate is not expected to adsorb to suspended solids and sediment in water(SRC). Isopropyl carbamate is not expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 1.2(3,SRC), from an estimated log Kow(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isopropyl carbamate, which has an estimated vapor pressure of 0.17 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isopropyl carbamate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)