1,2,3-벤조티아디아졸-5-카르복실산

1,2,3-Benzothiadiazole-5-carboxylic acid

HCID 2735458CAS 192948-09-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc2snnc2c1
InChIKey: OUIALVLMUYKKKS-UHFFFAOYSA-N
분자식: C7H4N2O2S
평균 분자량: 180.19 g/mol
단동위원소 질량: 179.99934855

이름 및 식별자

우선 이름: 1,2,3-Benzothiadiazole-5-carboxylic acid
IUPAC: 1,2,3-benzothiadiazole-5-carboxylic acid
현지명: 1,2,3-벤조티아디아졸-5-카르복실산
영어명: 1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID
분자식: C7H4N2O2S
분자량: 180.18

이름 및 동의어

1,2,3-benzothiadiazole-5-carboxylic acid192948-09-7DTXSID60370736RefChem:214610DTXCID30321770811-176-0Benzo[d][1,2,3]thiadiazole-5-carboxylic acidBenzo-1,2,3-thiadiazole-5-carboxylic acidMFCD015705521,2,3-Benzothiadiazole-5-carboxylicacidbenzo[d]1,2,3-thiadiazole-5-carboxylic acidCDS1_000255

이름 더 보기

1,2,3-벤조티아디아졸-5-카르복실산1,2,3-Benzothiazole-5-carboxylic acidForamsulfuron Impurity 1(nicosulfuron)5-Carboxy-1,2,3-benzothiadiazole, Benzo[d][1,2,3]thiadiazole-5-carboxylic acid

Maybridge1_002543DivK1c_001295SCHEMBL593649HMS548L13OUIALVLMUYKKKS-UHFFFAOYSA-NSHA94809SBB053282AKOS022178918

데이터베이스 식별자

CAS: 192948-09-7
PubChem CID: 2735458
DTXSID: DTXSID60370736
EC Number: 811-176-0

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 91.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 221 · 221-225°C
끓는 점: 385.2 · 385.2±34.0 °C(Predicted)
밀도: 1.608 · 1.608±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 3.21 · 3.21±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.