TCA-BU

Modify Date: 2025-08-25 07:23:55

TCA-BU Structure
TCA-BU structure
Common Name TCA-BU
CAS Number 815-18-9 Molecular Weight 192.47100
Density 1.472g/cm3 Boiling Point 261.1ºC at 760 mmHg
Molecular Formula C4H8Cl3NO Melting Point N/A
MSDS N/A Flash Point 111.7ºC

 Names

Name 3-amino-1,1,1-trichlorobutan-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.472g/cm3
Boiling Point 261.1ºC at 760 mmHg
Molecular Formula C4H8Cl3NO
Molecular Weight 192.47100
Flash Point 111.7ºC
Exact Mass 190.96700
PSA 46.25000
LogP 1.76500
Index of Refraction 1.525
InChIKey XQPVQVUHNBBXHI-UHFFFAOYSA-N
SMILES CC(N)C(O)C(Cl)(Cl)Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EL0600000
CHEMICAL NAME :
2-Butanol, 3-amino-1,1,1-trichloro-
CAS REGISTRY NUMBER :
815-18-9
BEILSTEIN REFERENCE NO. :
1741116
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C4-H8-Cl3-N-O
MOLECULAR WEIGHT :
192.48
WISWESSER LINE NOTATION :
ZY1&YQXGGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - other changes
REFERENCE :
SKIZAB Shikoku Igaku Zasshi. Shikoku Medical Journal. (Tokushima Igakkai, Tokushima Daigaku Igakubu, Kuramoto-cho, Tokushima 770, Japan) V.1- 1950- Volume(issue)/page/year: 28,231,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2217 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - other changes
REFERENCE :
SKIZAB Shikoku Igaku Zasshi. Shikoku Medical Journal. (Tokushima Igakkai, Tokushima Daigaku Igakubu, Kuramoto-cho, Tokushima 770, Japan) V.1- 1950- Volume(issue)/page/year: 28,231,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
430 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - other changes
REFERENCE :
SKIZAB Shikoku Igaku Zasshi. Shikoku Medical Journal. (Tokushima Igakkai, Tokushima Daigaku Igakubu, Kuramoto-cho, Tokushima 770, Japan) V.1- 1950- Volume(issue)/page/year: 28,231,1972

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

3-amino-1,1,1-trichloro-butan-2-ol
1,1,1-Trichlor-3-aminobutan-2-ol
3-Amino-1-trichloro-2-butanol
3-Amino-1,1,1-trichlor-butan-2-ol
2-BUTANOL,3-AMINO-1,1,1-TRICHLORO
TCA-BU
opt.-inakt.-3-Amino-1,1,1-trichlor-butan-2-ol
2-Butanol,1,1-trichloro
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