UCSF

ZINC08220695

Substance Information

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

CAS Numbers: 107-06-2 , 17060-07-0

Other Names:

Dichloroethane;alpha,Bet;Dutch oil;EDC, JMAF;Ethylene chloride;Ethylene dichloride, BSI, ISO;Granosan;R 150;S-Dichloroethane

1,2-Bichloroethane; 1,2-DCE; 1,2-Dichloorethaan [Dutch]; 1,2-Dichlor-aethan [German]; 1,2-Dichlorethane; 1,2-Dichloroethane; 1,2-Dicloroetano [Italian]; 1,2-Ethylene dichloride; 1,2-Ethylidene dichloride; 2-Dichloroethane; AI3-01656; Aethylenchlorid [Germ

1,2-DCE; 1,2-Dichloraethan; 1,2-dichloroethane; 12-DICHLOROETHANE; Aethylenchlorid; Aethylendichlorid; DCE; Dutch liquid; EDC; Ethylene Dichloride; Glycol dichloride; alpha,beta-dichloroethane; bmse000568; dichloroethane; ethane dichloride; ethylene chlor

1,2-DCE; 1,2-Dichloraethan; 1,2-dichloroethane; Aethylenchlorid; Aethylendichlorid; DCE; EDC; alpha,beta-dichloroethane; ethane dichloride; ethylene chloride

1,2-Dichloroethane

1,2-Dichloroethane, 99+%

1,2-Dichloroethane, 99+%, for spectroscopy

1,2-Dichloroethane, 99+%, for spectroscopy ACS

1,2-Dichloroethane, 99.5%, for analysis

1,2-Dichloroethane, 99.5%, for electronic use, residue free

1,2-Dichloroethane, 99.8+%, extra pure

1,2-Dichloroethane, ACS

1,2-Dichloroethane, ACS, 99+%

1,2-Dichloroethane, extra pure

1,2-Dichloroethane, HPLC Grade

1,2-Dichloroethane, HPLC Grade, 99% min

1,2-Dichloroethane, Spectrophotometric Grade

1,2-Dichloroethane, Spectrophotometric Grade, 99+%

1,2-Dichloroethane-d4

1,2-Dichloroethane-d4, 99% (Isotopic)

1,2-Dichloroethane; 107-06-2; C06752; Dutch liquid; Ethylene dichloride; Glycol dichloride

1,2-dichloroethane; 12-DICHLOROETHANE

BRD-M96081824-001-01-0

CHEBI:49557; CHEBI:497; CHEBI:18881

Ethylene chloride

Ethylene Dichloride

MFCD00000963

MFCD00037531

Download: MOL2 SDF SMILES Flexibase

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) 1.52 3.38 -1.54 0 0 0 0 98.96 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 35 Acros Organics
Melting_Point 35? Alfa-Aesar
Melting_Point 35° Alfa-Aesar
ALOGPS_SOLUBILITY 5.94e+00 g/l DrugBank-experimental
BP [°C] 81 - 85 Acros Organics
Boiling_Point 83? Alfa-Aesar
Boiling_Point 83° Alfa-Aesar
UniProt Database Links DHAA_AGRT5; DHAA_BRADU; DHAA_MYCBO; DHAA_MYCBP; DHAA_MYCBT; DHAA_MYCS2; DHAA_MYCSX; DHAA_MYCTA; DHAA_MYCTU; DHAA_PSEPV; DHAA_RHILO; DHAA_RHORH; DHAA_RHOSD; DHAA_RHOSO; DHLA_XANAU; DHLA_XANFL; DHMA1_MYCBO; DHMA1_MYCTU; DHMA2_MYCBO; DHMA2_MYCTU; DHMA_CAUCN ChEBI
Patent Database Links EP0796845; EP0812845; EP0916664; EP0916675; EP0923986; EP1000944; EP1016665; EP1090907; EP1104765; EP1113012; EP1125929; EP1138682; EP1149836; EP1197490; EP1277742; EP1283204; EP1359149; EP1375467; EP1386908; EP1411053; EP1422213; EP1449824; EP1449840; EP ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; T: Toxic Acros Organics
H phrase H350: May cause cancer Acros Organics
H phrase H350: May cause cancer; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation; H225: Highly flammable liquid and vapor; H302: Harmful if swallowed; H331: Toxic if inhaled Acros Organics
P phrase P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
P phrase P308 + P313: IF exposed or concerned: Get medical advice/attention; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face prot Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R11: Highly flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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). Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.