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Details

Stereochemistry ACHIRAL
Molecular Formula C4H7Cl3O
Molecular Weight 177.457
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROBUTANOL

SMILES

CC(C)(O)C(Cl)(Cl)Cl

InChI

InChIKey=OSASVXMJTNOKOY-UHFFFAOYSA-N
InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

HIDE SMILES / InChI
Molecular Formula C4H7Cl3O
Molecular Weight 177.457
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:59:02 UTC 2023
Edited
by admin
on Fri Dec 15 15:59:02 UTC 2023
Record UNII
HM4YQM8WRC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROBUTANOL
GREEN BOOK   HSDB   II   INCI   INN   MI   VANDF   WHO-DD   WHO-IP  
INN   INCI  
Official Name English
chlorobutanol [INN]
Common Name English
CHLOROBUTANOL, ANHYDROUS [WHO-IP]
Common Name English
CHLOROBUTANOL, ANHYDROUS
EP   II   WHO-IP  
Common Name English
CHLOROBUTANOL [EP MONOGRAPH]
Common Name English
CHLOROBUTANOL [GREEN BOOK]
Common Name English
CHLOROBUTANOL [MI]
Common Name English
CHLOROBUTANOL [JAN]
Common Name English
NSC-44794
Code English
TRICHLOROBUTANOL
Systematic Name English
CHLOROBUTANOL [WHO-IP]
Common Name English
CHLOROBUTANOL [HSDB]
Common Name English
CHLOROBUTANOL [INCI]
Common Name English
CHLOROBUTANOL [II]
Common Name English
CHLOROBUTANOL [USP-RS]
Common Name English
CHLOROBUTANOLUM [WHO-IP LATIN]
Common Name English
CHLOROBUTANOL, ANHYDROUS [II]
Common Name English
CHLOROBUTANOL [VANDF]
Common Name English
Chlorobutanol [WHO-DD]
Common Name English
2-PROPANOL, 1,1,1-TRICHLORO-2-METHYL-
Systematic Name English
CHLOROBUTANOL, ANHYDROUS [EP IMPURITY]
Common Name English
1,1,1-Trichloro-2-methyl-2-propanol
Systematic Name English
ACETONE CHLOROFORM
Systematic Name English
ANHYDROUS CHLOROBUTANOL
Common Name English
CHLORETONE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 98896
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
WHO-ATC A04AD54
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
EPA PESTICIDE CODE 17501
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
CFR 21 CFR 310.538
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
WHO-VATC QA04AD54
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
WHO-VATC QA04AD04
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
WHO-ATC A04AD04
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
Code System Code Type Description
INN
440
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
FDA UNII
HM4YQM8WRC
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
SMS_ID
100000081866
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
CONCEPT Industrial Aid
DRUG CENTRAL
3092
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
NCI_THESAURUS
C65317
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
NSC
44794
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
EVMPD
SUB11813MIG
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
ChEMBL
CHEMBL1439973
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
HSDB
2761
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
CHLOROBUTANOL
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY Description: Colourless crystals or a white, crystalline powder; odour, characteristic, camphoraceous.Solubility: Slightly soluble in water; very soluble in ethanol (~750 g/l) TS and ether R; soluble in glycerol R.Category: Antimicrobial preservative.Storage: Chlorobutanol should be kept in a tightly closed container.
ECHA (EC/EINECS)
200-317-6
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
PUBCHEM
5977
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
DRUG BANK
DB11386
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
CAS
57-15-8
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
RS_ITEM_NUM
1112503
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
MESH
D002724
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
EVMPD
SUB06190MIG
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID1041217
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
WIKIPEDIA
CHLOROBUTANOL
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
MERCK INDEX
m3399
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY Merck Index
RXCUI
2378
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY RxNorm
DAILYMED
HM4YQM8WRC
Created by admin on Fri Dec 15 15:59:02 UTC 2023 , Edited by admin on Fri Dec 15 15:59:02 UTC 2023
PRIMARY
Related Record Type Details
Structure of CHLOROBUTANOL HEMIHYDRATE
SALT/SOLVATE -> PARENT
Structure of CHLOROBUTANOL HEMIHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of CHLOROFORM
IMPURITY -> PARENT
Structure of Acetone
IMPURITY -> PARENT
Related Record Type Details
Structure of CHLOROBUTANOL
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