UCSF

ZINC08214699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 5 No

CAS Numbers: 1979/1/6 , 79-01-6

Other Names:

1,1,1-Trichloroethylene;1,1,2-Trichloro-Ethene;1,1,2-Trichloroethene;1,1,2-Trichloroethylene;1,1-Dichloro-2-chloroethylene;1,2,2-Trichloroethylene;1-Chloro-2,2-dichloroethylene;Acetylene trichloride;Algylen;Altene DG;Anamenth;Benzinol;Blacosolv;Blancosolv

1,1,2-Trichloroethylene; 1,1,2-trichloroethene; 1,1-dichloro-2-chloroethylene; 1,2,2-trichloroethylene; 1-chloro-2,2-dichloroethylene; AI3-00052; Acetylene trichloride; Algylen; BRN 1736782; C2HCl3; CCRIS 603; Caswell No. 876; Chlorylea, Chorylen, CirCoso

1,1-dichloro-2-chloroethylene; Narcogen; Trichloraethen; Trichloraethylen; acetylene trichloride; ethinyl trichloride; ethylene trichloride; trichlor; trichloraethylenum pro narcosi; trichlorethylene; trichloroethene; trichloroethylene; trichloroethylenum

79-01-6; C06790; TCE; Trichloroethene; Trichloroethylene

CHEBI:9686; CHEBI:27099; CHEBI:15257

INN)

MFCD00000838

MI

NF

NF)

TCE; trichloroethene; trichloroethylene

Trichloroethene

Trichloroethylene (1mg/ml in Methanol) [for Water Analysis]

Trichloroethylene (INN

Trichloroethylene (MI

Trichloroethylene, 99+%, extra pure, stabilized

Trichloroethylene, 99.6%, ACS reagent, stabilized

Trichloroethylene, ACS

Trichloroethylene, ACS, 99.5% min

Trichloroethylene, anhydrous, 99+%, packaged under Argon in resealable ChemSeal^t bottles

Trichloroethylene, Electronic Grade

Trichloroethylene, Electronic Grade, 99.5+%

Trichloroethylene, Semiconductor Grade

Trichloroethylene, Semiconductor Grade, 99+%

Trichloroethylene, Spectrophotometric Grade

Trichloroethylene, Spectrophotometric Grade, 99.5+%

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 3.57 -1.03 0 0 0 0 131.389 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 85? Alfa-Aesar
Melting_Point 85° Alfa-Aesar
Mp [°C] 86 Acros Organics
BP [°C] 87 Acros Organics
Boiling_Point 87? Alfa-Aesar
Boiling_Point 87° Alfa-Aesar
Patent Database Links EP1104765; US2005203287; US2005250706; US2005272675; US2006142353; US2008268071; WO2005028409; WO2005049586; WO2005108365; WO2006114676 ChEBI
H phrase H336: May cause drowsiness or dizziness Acros Organics
H phrase H336: May cause drowsiness or dizziness; H412: Harmful to aquatic life with long lasting effects; H350: May cause cancer; H341: Suspected of causing genetic defects; H319: Causes serious eye irritation; H315: Causes skin irritation; H317: May cause an all Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye p Acros Organics
UniProt Database Links PCTA_PSEAE; PCTB_PSEAE; PCTC_PSEAE ChEBI
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R36/38: Irritating to eyes and skin.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R67: Vapours may cause drowsiness and dizziness.; R68: Possible risks of irreversible effe Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety Acros Organics
Hazard T: Toxic Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )